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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[homoveratryl(methyl)amino]-3-nitro-benzenesulfonamide Formula: C21H30N4O6S MolecularWeight: 466.5511

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O6S/c1-23(2)13-11-22-32(28,29)17-7-8-18(19(15-17)25(26)27)24(3)12-10-16-6-9-20(30-4)21(14-16)31-5/h6-9,14-15,22H,10-13H2,1-5H3