2-[[2-chloranyl-4-(4-methylsulfonylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[[2-chloranyl-4-(4-methylsulfonylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[2-chloro-4-(4-methylsulfonylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[2-chloro-4-(4-methylsulfonylphenyl)anilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[2-chloro-4-(4-methylsulfonylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[2-chloro-4-(4-mesylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C20H18ClNO5S MolecularWeight: 419.87862

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)Cl

InChI

InChI=1S/C20H18ClNO5S/c1-28(26,27)14-8-5-12(6-9-14)13-7-10-18(17(21)11-13)22-19(23)15-3-2-4-16(15)20(24)25/h5-11H,2-4H2,1H3,(H,22,23)(H,24,25)