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

Systemtic Name: 2-[chloranyl-[4-(4-methylsulfonylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[chloro-[4-(4-methylsulfonylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[N-chloro-4-(4-methylsulfonylphenyl)anilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[chloro-[4-(4-methylsulfonylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 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)N(C(=O)C3=C(CCC3)C(=O)O)Cl

Isomeric SMILES

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

InChI

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