N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorobenzoyl)isonipecotamide Formula: C25H30ClN3O4S MolecularWeight: 504.0414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O4S/c26-21-10-8-20(9-11-21)25(31)28-16-12-19(13-17-28)24(30)27-22-6-5-7-23(18-22)34(32,33)29-14-3-1-2-4-15-29/h5-11,18-19H,1-4,12-17H2,(H,27,30)