methyl 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(2-chlorophenyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H19ClN2O4S/c1-25-18(22)14-5-4-6-15(13-14)26(23,24)21-11-9-20(10-12-21)17-8-3-2-7-16(17)19/h2-8,13H,9-12H2,1H3