N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chlorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chlorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chlorobenzoyl)piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[(2-chlorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chlorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chlorobenzoyl)isonipecotamide Formula: C25H30ClN3O4S MolecularWeight: 504.0414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H30ClN3O4S/c26-23-8-4-3-7-22(23)25(31)28-17-13-19(14-18-28)24(30)27-20-9-11-21(12-10-20)34(32,33)29-15-5-1-2-6-16-29/h3-4,7-12,19H,1-2,5-6,13-18H2,(H,27,30)