(3S)-1-(phenylsulfonyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(phenylsulfonyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(Z)-1-(3-pyridyl)ethylideneamino]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(Z)-1-(3-pyridinyl)ethylideneamino]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[(Z)-1-(3-pyridyl)ethylideneamino]nipecotamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

C/C(=N/NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC=C2)/C3=CN=CC=C3

InChI

InChI=1S/C19H22N4O3S/c1-15(16-7-5-11-20-13-16)21-22-19(24)17-8-6-12-23(14-17)27(25,26)18-9-3-2-4-10-18/h2-5,7,9-11,13,17H,6,8,12,14H2,1H3,(H,22,24)/b21-15-/t17-/m0/s1