N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-[(2-chlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(2-chlorobenzyl)sulfonyl-isonipecotamide Formula: C22H34ClN3O3S MolecularWeight: 456.04166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H34ClN3O3S/c23-21-9-4-3-8-20(21)18-30(28,29)26-16-10-19(11-17-26)22(27)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-9,19H,1-2,5-7,10-18H2,(H,24,27)