(3S)-N-[(Z)-(4-acetamidophenyl)methylideneamino]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(Z)-(4-acetamidophenyl)methylideneamino]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(Z)-(4-acetamidophenyl)methyleneamino]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(Z)-(4-acetamidophenyl)methylideneamino]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(Z)-(4-acetamidophenyl)methylideneamino]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(Z)-(4-acetamidobenzylidene)amino]-1-mesyl-nipecotamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=NNC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=N\NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C16H22N4O4S/c1-12(21)18-15-7-5-13(6-8-15)10-17-19-16(22)14-4-3-9-20(11-14)25(2,23)24/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,18,21)(H,19,22)/b17-10-/t14-/m0/s1