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

Systemtic Name: methyl 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-nitrophenyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-27-18(22)14-3-2-4-17(13-14)28(25,26)20-11-9-19(10-12-20)15-5-7-16(8-6-15)21(23)24/h2-8,13H,9-12H2,1H3