methyl 4-chloranyl-3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(2-cyanophenyl)sulfonylpiperazino]sulfonyl-benzoic acid methyl ester Formula: C19H18ClN3O6S2 MolecularWeight: 483.94572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H18ClN3O6S2/c1-29-19(24)14-6-7-16(20)18(12-14)31(27,28)23-10-8-22(9-11-23)30(25,26)17-5-3-2-4-15(17)13-21/h2-7,12H,8-11H2,1H3