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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[homoveratryl(methyl)amino]-3-nitro-benzenesulfonamide Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O6S/c1-6-23(7-2)31(27,28)17-9-10-18(19(15-17)24(25)26)22(3)13-12-16-8-11-20(29-4)21(14-16)30-5/h8-11,14-15H,6-7,12-13H2,1-5H3