N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: homoveratryl-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C22H30N4O6S MolecularWeight: 478.5618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O6S/c1-23-11-13-25(14-12-23)33(29,30)18-6-7-19(20(16-18)26(27)28)24(2)10-9-17-5-8-21(31-3)22(15-17)32-4/h5-8,15-16H,9-14H2,1-4H3