N-(2-methoxyethyl)-4-methyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-(2-methoxyethyl)-4-methyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(2-methoxyethyl)-4-methyl-benzenesulfonamide CAS Name: N-(2-methoxyethyl)-4-methyl-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(2-methoxyethyl)-4-methyl-benzenesulfonamide Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCOC)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCOC)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-19-9-10-21(31(28,29)24-11-16-30-2)17-22(19)23(27)26-13-6-12-25(14-15-26)18-20-7-4-3-5-8-20/h3-5,7-10,17,24H,6,11-16,18H2,1-2H3