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benzamide, 3-[(4-methyl-1-piperidinyl)sulfonyl]-N-[2-[(4-phenyl-1-piperazinyl)carbonyl]phenyl]-
SpectraBase Compound ID 8w6ScbbqXo4
InChI InChI=1S/C30H34N4O4S/c1-23-14-16-34(17-15-23)39(37,38)26-11-7-8-24(22-26)29(35)31-28-13-6-5-12-27(28)30(36)33-20-18-32(19-21-33)25-9-3-2-4-10-25/h2-13,22-23H,14-21H2,1H3,(H,31,35)
InChIKey DOKSYAKAHHNLBT-UHFFFAOYSA-N
Mol Weight 546.7 g/mol
Molecular Formula C30H34N4O4S
Exact Mass 546.230077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gShsQP6WE7
Name Benzamide, 3-[(4-methyl-1-piperidinyl)sulfonyl]-N-[2-[(4-phenyl-1-piperazinyl)carbonyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.230076761 u
Formula C30H34N4O4S
InChI InChI=1S/C30H34N4O4S/c1-23-14-16-34(17-15-23)39(37,38)26-11-7-8-24(22-26)29(35)31-28-13-6-5-12-27(28)30(36)33-20-18-32(19-21-33)25-9-3-2-4-10-25/h2-13,22-23H,14-21H2,1H3,(H,31,35)
InChIKey DOKSYAKAHHNLBT-UHFFFAOYSA-N
Molecular Weight 546.686 g/mol
SMILES N(C(C1=CC(S(N2CCC(CC2)C)(=O)=O)=CC=C1)=O)C1=C(C(N2CCN(CC2)C2=CC=CC=C2)=O)C=CC=C1