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

Systemtic Name: methyl 4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-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=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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