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

Systemtic Name: methyl 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2-cyanophenyl)sulfonylpiperazino]-5-nitro-benzoic acid methyl ester Formula: C19H18N4O6S MolecularWeight: 430.43442

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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=C3C#N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N4O6S/c1-29-19(24)16-12-15(23(25)26)6-7-17(16)21-8-10-22(11-9-21)30(27,28)18-5-3-2-4-14(18)13-20/h2-7,12H,8-11H2,1H3