methyl 4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-methyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-methyl-3-[4-(4-nitrophenyl)piperazino]sulfonyl-benzoic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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