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

Systemtic Name: methyl 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-(4-brosylpiperazino)-3-nitro-benzoic acid methyl ester Formula: C18H18BrN3O6S MolecularWeight: 484.32102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O6S/c1-28-18(23)13-2-7-16(17(12-13)22(24)25)20-8-10-21(11-9-20)29(26,27)15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3