3-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide CAS Name: 3-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide Traditional Name: N-(benzylcarbamoyl)-3-(4-mesyl-1,4-diazepan-1-yl)propionamide Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H26N4O4S/c1-26(24,25)21-10-5-9-20(12-13-21)11-8-16(22)19-17(23)18-14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H2,18,19,22,23)