1-(azepan-1-ylsulfonyl)-N-[3-[ethyl-(3-methylphenyl)amino]propyl]piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[3-[ethyl-(3-methylphenyl)amino]propyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[3-(N-ethyl-3-methyl-anilino)propyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[3-(N-ethyl-3-methylanilino)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[3-(N-ethyl-3-methylanilino)propyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-[3-(N-ethyl-3-methyl-anilino)propyl]nipecotamide Formula: C24H40N4O3S MolecularWeight: 464.6644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)N2CCCCCC2)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)N2CCCCCC2)C3=CC=CC(=C3)C

InChI

InChI=1S/C24H40N4O3S/c1-3-26(23-13-8-11-21(2)19-23)15-10-14-25-24(29)22-12-9-18-28(20-22)32(30,31)27-16-6-4-5-7-17-27/h8,11,13,19,22H,3-7,9-10,12,14-18,20H2,1-2H3,(H,25,29)