1-(phenylsulfonyl)-N-[(E)-1-pyridin-4-ylethylideneamino]piperidine-3-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[(E)-1-pyridin-4-ylethylideneamino]piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(E)-1-(4-pyridyl)ethylideneamino]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(E)-1-pyridin-4-ylethylideneamino]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(E)-1-pyridin-4-ylethylideneamino]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[(E)-1-(4-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=CC=NC=C3

Isomeric SMILES

C/C(=N\NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2)/C3=CC=NC=C3

InChI

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