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

Systemtic Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(3-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=C3)Cl

Isomeric SMILES

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

InChI

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