3-[5-[[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[3-(4-chlorophenyl)sulfonyl-5-methoxyanilino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C20H18ClN3O6S MolecularWeight: 463.89142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=CC=NN2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=CC=NN2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

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