N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2,4-dimethoxyphenyl)-2-nitro-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2,4-dimethoxyphenyl)-2-nitro-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2,4-dimethoxyphenyl)-2-nitro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2,4-dimethoxyphenyl)-2-nitro-benzenesulfonamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O7S/c1-31-17-11-12-18(20(15-17)32-2)24(16-22(26)23-13-7-3-4-8-14-23)33(29,30)21-10-6-5-9-19(21)25(27)28/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3