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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-veratryl-amine Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6S/c1-22-9-11-24(12-10-22)32(28,29)17-6-7-18(19(14-17)25(26)27)23(2)15-16-5-8-20(30-3)21(13-16)31-4/h5-8,13-14H,9-12,15H2,1-4H3