2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(benzylcarbamoyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(benzylcarbamoyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(benzylcarbamoyl)propionamide Formula: C21H33N5O4S MolecularWeight: 451.58282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N5O4S/c1-18(20(27)23-21(28)22-17-19-9-5-4-6-10-19)24-13-15-26(16-14-24)31(29,30)25-11-7-2-3-8-12-25/h4-6,9-10,18H,2-3,7-8,11-17H2,1H3,(H2,22,23,27,28)