N-methyl-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-(phenylsulfonyl)phenyl]ethanamide

Systemtic Name: N-methyl-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-(phenylsulfonyl)phenyl]ethanamide Openeye Name: N-[2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methyl-acetamide CAS Name: N-[2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylacetamide IUPAC Name: N-[2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylacetamide Traditional Name: N-[2-besyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methyl-acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N(C)C1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-17(25)23(3)20-16-18(24-13-7-12-22(2)14-15-24)10-11-21(20)28(26,27)19-8-5-4-6-9-19/h4-6,8-11,16H,7,12-15H2,1-3H3