methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]benzoate CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzoate Traditional Name: 3-nitro-4-(4-tosylpiperazino)benzoic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-14-3-6-16(7-4-14)29(26,27)21-11-9-20(10-12-21)17-8-5-15(19(23)28-2)13-18(17)22(24)25/h3-8,13H,9-12H2,1-2H3