methyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-5-nitro-benzoic acid methyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C20H23N3O6S/c1-14-4-6-17(12-15(14)2)30(27,28)22-10-8-21(9-11-22)19-7-5-16(23(25)26)13-18(19)20(24)29-3/h4-7,12-13H,8-11H2,1-3H3