N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)naphthalene-2-sulfonamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)naphthalene-2-sulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)naphthalene-2-sulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)-2-naphthalenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)naphthalene-2-sulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-N-veratryl-naphthalene-2-sulfonamide Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C25H28N2O5S/c1-31-23-13-10-18(15-24(23)32-2)17-27(22-9-5-6-14-26-25(22)28)33(29,30)21-12-11-19-7-3-4-8-20(19)16-21/h3-4,7-8,10-13,15-16,22H,5-6,9,14,17H2,1-2H3,(H,26,28)