2-[3-[[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[3-(4-chlorophenyl)sulfonyl-5-methoxy-anilino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[3-(4-chlorophenyl)sulfonyl-5-methoxyanilino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[3-(4-chlorophenyl)sulfonyl-5-methoxyanilino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[3-(4-chlorophenyl)sulfonyl-5-methoxy-anilino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C20H18ClN3O6S MolecularWeight: 463.89142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O6S/c1-30-15-10-14(23-19(25)7-9-24-18(20(26)27)6-8-22-24)11-17(12-15)31(28,29)16-4-2-13(21)3-5-16/h2-6,8,10-12H,7,9H2,1H3,(H,23,25)(H,26,27)