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

Systemtic Name: 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]acetamide CAS Name: N-[2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)phenyl]acetamide IUPAC Name: N-[2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)phenyl]acetamide Traditional Name: N-[2-besyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]acetamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-16(24)21-19-15-17(23-12-6-11-22(2)13-14-23)9-10-20(19)27(25,26)18-7-4-3-5-8-18/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,21,24)