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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-iodanyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-iodo-N-(2-ketoazepan-3-yl)-N-veratryl-benzenesulfonamide Formula: C21H25IN2O5S MolecularWeight: 544.40307

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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)I)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25IN2O5S/c1-28-19-11-6-15(13-20(19)29-2)14-24(18-5-3-4-12-23-21(18)25)30(26,27)17-9-7-16(22)8-10-17/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,23,25)