4-methoxy-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: 4-methoxy-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-methoxy-benzenesulfonamide CAS Name: 4-methoxy-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-methoxy-benzenesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-27-19-9-8-17(28(21,25)26)14-18(19)20(24)23-11-5-10-22(12-13-23)15-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13,15H2,1H3,(H2,21,25,26)