(3S)-N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(Z)-p-tolylmethyleneamino]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(Z)-(4-methylbenzylidene)amino]-1-tosyl-nipecotamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=N\NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O3S/c1-16-5-9-18(10-6-16)14-22-23-21(25)19-4-3-13-24(15-19)28(26,27)20-11-7-17(2)8-12-20/h5-12,14,19H,3-4,13,15H2,1-2H3,(H,23,25)/b22-14-/t19-/m0/s1