N-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-[(3-chlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(3-chlorobenzyl)sulfonyl-isonipecotamide Formula: C22H34ClN3O3S MolecularWeight: 456.04166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H34ClN3O3S/c23-21-8-5-7-19(17-21)18-30(28,29)26-15-9-20(10-16-26)22(27)24-11-6-14-25-12-3-1-2-4-13-25/h5,7-8,17,20H,1-4,6,9-16,18H2,(H,24,27)