4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-nitro-benzenesulfonamide CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[homoveratryl(methyl)amino]-3-nitro-benzenesulfonamide Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6S/c1-19(9-8-12-4-7-16(25-2)17(10-12)26-3)14-6-5-13(27(18,23)24)11-15(14)20(21)22/h4-7,10-11H,8-9H2,1-3H3,(H2,18,23,24)