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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)-4-phenoxy-benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-4-phenoxy-benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)-4-phenoxybenzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-4-phenoxybenzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-4-phenoxy-N-veratryl-benzenesulfonamide Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O6S/c1-33-25-16-11-20(18-26(25)34-2)19-29(24-10-6-7-17-28-27(24)30)36(31,32)23-14-12-22(13-15-23)35-21-8-4-3-5-9-21/h3-5,8-9,11-16,18,24H,6-7,10,17,19H2,1-2H3,(H,28,30)