N-[2-(azepan-1-ylcarbonyl)phenyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(4-chlorophenyl)sulfonyl-isonipecotamide Formula: C25H30ClN3O4S MolecularWeight: 504.0414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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