N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-4-mesyl-N-veratryl-benzenesulfonamide Formula: C22H28N2O7S2 MolecularWeight: 496.59692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H28N2O7S2/c1-30-20-12-7-16(14-21(20)31-2)15-24(19-6-4-5-13-23-22(19)25)33(28,29)18-10-8-17(9-11-18)32(3,26)27/h7-12,14,19H,4-6,13,15H2,1-3H3,(H,23,25)