(3S)-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-methyl-2-(p-tolylazo)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-methyl-2-(4-methylphenyl)azophenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-mesyl-N-[4-methyl-2-(p-tolylazo)phenyl]nipecotamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=C(C=CC(=C2)C)NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=C(C=CC(=C2)C)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O3S/c1-15-6-9-18(10-7-15)23-24-20-13-16(2)8-11-19(20)22-21(26)17-5-4-12-25(14-17)29(3,27)28/h6-11,13,17H,4-5,12,14H2,1-3H3,(H,22,26)/t17-/m0/s1