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

Systemtic Name: methyl 4-[[4-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate Openeye Name: methyl 4-[[4-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]sulfonylmethyl]benzoic acid methyl ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN2O4S/c1-26-19(23)16-7-5-15(6-8-16)14-27(24,25)22-11-9-21(10-12-22)18-4-2-3-17(20)13-18/h2-8,13H,9-12,14H2,1H3