N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H30N4O4S/c25-19-7-2-1-3-12-23(19)13-5-11-22-20(26)17-8-14-24(15-9-17)29(27,28)18-6-4-10-21-16-18/h4,6,10,16-17H,1-3,5,7-9,11-15H2,(H,22,26)