(3S)-1-(2-methylphenyl)sulfonyl-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-methylphenyl)sulfonyl-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-3-carboxamide Openeye Name: (3S)-1-(o-tolylsulfonyl)-N-[(Z)-2-pyridylmethyleneamino]piperidine-3-carboxamide CAS Name: (3S)-1-(2-methylphenyl)sulfonyl-N-[(Z)-2-pyridinylmethylideneamino]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-methylphenyl)sulfonyl-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-3-carboxamide Traditional Name: (3S)-1-(o-tolylsulfonyl)-N-[(Z)-2-pyridylmethyleneamino]nipecotamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCCC(C2)C(=O)NN=CC3=CC=CC=N3

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCC[C@@H](C2)C(=O)N/N=C\C3=CC=CC=N3

InChI

InChI=1S/C19H22N4O3S/c1-15-7-2-3-10-18(15)27(25,26)23-12-6-8-16(14-23)19(24)22-21-13-17-9-4-5-11-20-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,22,24)/b21-13-/t16-/m0/s1