methyl 4-[[methyl-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-anilino]methyl]benzoate CAS Name: 4-[[N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroanilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroanilino]methyl]benzoate Traditional Name: 4-[[N-methyl-4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]methyl]benzoic acid methyl ester Formula: C21H26N4O6S MolecularWeight: 462.51934

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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)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S/c1-22-10-12-24(13-11-22)32(29,30)18-8-9-19(20(14-18)25(27)28)23(2)15-16-4-6-17(7-5-16)21(26)31-3/h4-9,14H,10-13,15H2,1-3H3