3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[4-(3-chlorophenyl)piperazino]sulfonyl-4-methoxy-benzoic acid Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O5S/c1-26-16-6-5-13(18(22)23)11-17(16)27(24,25)21-9-7-20(8-10-21)15-4-2-3-14(19)12-15/h2-6,11-12H,7-10H2,1H3,(H,22,23)