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N-methyl-4-[4-(m-nitrophenyl)-1-piperazinyl]-3-pyridinesulfonamide
SpectraBase Compound ID 7aiRolQ8BDP
InChI InChI=1S/C16H19N5O4S/c1-17-26(24,25)16-12-18-6-5-15(16)20-9-7-19(8-10-20)13-3-2-4-14(11-13)21(22)23/h2-6,11-12,17H,7-10H2,1H3
InChIKey AIEOEUVJWQYTTA-UHFFFAOYSA-N
Mol Weight 377.42 g/mol
Molecular Formula C16H19N5O4S
Exact Mass 377.115775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uDDSyRXpeT
Name N-Methyl-4-[4-(m-nitrophenyl)-1-piperazinyl]-3-pyridinesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 377.115775282 u
Formula C16H19N5O4S
InChI InChI=1S/C16H19N5O4S/c1-17-26(24,25)16-12-18-6-5-15(16)20-9-7-19(8-10-20)13-3-2-4-14(11-13)21(22)23/h2-6,11-12,17H,7-10H2,1H3
InChIKey AIEOEUVJWQYTTA-UHFFFAOYSA-N
Molecular Weight 377.419 g/mol
SMILES N(S(C=1C(N2CCN(C3=CC=CC(=C3)N(=O)=O)CC2)=CC=NC1)(=O)=O)C