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

Systemtic Name: methyl 5-nitro-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]benzoate CAS Name: 5-nitro-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]benzoate Traditional Name: 5-nitro-2-[4-(3-nitrophenyl)sulfonylpiperazino]benzoic acid methyl ester Formula: C18H18N4O8S MolecularWeight: 450.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O8S/c1-30-18(23)16-12-14(22(26)27)5-6-17(16)19-7-9-20(10-8-19)31(28,29)15-4-2-3-13(11-15)21(24)25/h2-6,11-12H,7-10H2,1H3