N-[2-(azepan-1-yl)phenyl]-1-(2-chloranylpyridin-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-(2-chloranylpyridin-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-[(2-chloro-3-pyridyl)sulfonyl]piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-[(2-chloro-3-pyridinyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-[(2-chloro-3-pyridyl)sulfonyl]isonipecotamide Formula: C23H29ClN4O3S MolecularWeight: 477.01936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C23H29ClN4O3S/c24-22-21(10-7-13-25-22)32(30,31)28-16-11-18(12-17-28)23(29)26-19-8-3-4-9-20(19)27-14-5-1-2-6-15-27/h3-4,7-10,13,18H,1-2,5-6,11-12,14-17H2,(H,26,29)