methyl 2-[4-(2-cyanophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(2-cyanophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(2-cyanophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-(2-cyanophenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-cyanophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2-cyanophenyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H19N3O4S/c1-26-19(23)16-7-3-5-9-18(16)27(24,25)22-12-10-21(11-13-22)17-8-4-2-6-15(17)14-20/h2-9H,10-13H2,1H3