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benzamide, N-[3-(2-benzothiazolyl)-4-hydroxyphenyl]-4-[(methylphenylamino)sulfonyl]-

View entire compound with spectra: 2 NMR

benzamide, N-[3-(2-benzothiazolyl)-4-hydroxyphenyl]-4-[(methylphenylamino)sulfonyl]-
SpectraBase Compound ID 2R2d7UfPXHk
InChI InChI=1S/C27H21N3O4S2/c1-30(20-7-3-2-4-8-20)36(33,34)21-14-11-18(12-15-21)26(32)28-19-13-16-24(31)22(17-19)27-29-23-9-5-6-10-25(23)35-27/h2-17,31H,1H3,(H,28,32)
InChIKey VDVQFCHMJVIZBT-UHFFFAOYSA-N
Mol Weight 515.6 g/mol
Molecular Formula C27H21N3O4S2
Exact Mass 515.097349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4LjyJNHqKg
Name Benzamide, N-[3-(2-benzothiazolyl)-4-hydroxyphenyl]-4-[(methylphenylamino)sulfonyl]-
Comments Computed using HOSE algorithm
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Exact Mass 515.097348512 u
Formula C27H21N3O4S2
InChI InChI=1S/C27H21N3O4S2/c1-30(20-7-3-2-4-8-20)36(33,34)21-14-11-18(12-15-21)26(32)28-19-13-16-24(31)22(17-19)27-29-23-9-5-6-10-25(23)35-27/h2-17,31H,1H3,(H,28,32)
InChIKey VDVQFCHMJVIZBT-UHFFFAOYSA-N
Molecular Weight 515.602 g/mol
SMILES N(C(C=1C=CC(S(N(C=2C=CC=CC2)C)(=O)=O)=CC1)=O)C=1C=CC(=C(C1)C1=NC=2C=CC=CC2S1)O