4-[[3-(4-methylsulfonylphenyl)-2-phenyl-cyclopent-2-en-1-yl]oxycarbonylamino]benzoic acid

Systemtic Name: 4-[[3-(4-methylsulfonylphenyl)-2-phenyl-cyclopent-2-en-1-yl]oxycarbonylamino]benzoic acid Openeye Name: 4-[[3-(4-methylsulfonylphenyl)-2-phenyl-cyclopent-2-en-1-yl]oxycarbonylamino]benzoic acid CAS Name: 4-[[[3-(4-methylsulfonylphenyl)-2-phenyl-1-cyclopent-2-enyl]oxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-methylsulfonylphenyl)-2-phenylcyclopent-2-en-1-yl]oxycarbonylamino]benzoic acid Traditional Name: 4-[[3-(4-mesylphenyl)-2-phenyl-cyclopent-2-en-1-yl]oxycarbonylamino]benzoic acid Formula: C26H23NO6S MolecularWeight: 477.52892

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(CC2)OC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(CC2)OC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H23NO6S/c1-34(31,32)21-13-9-17(10-14-21)22-15-16-23(24(22)18-5-3-2-4-6-18)33-26(30)27-20-11-7-19(8-12-20)25(28)29/h2-14,23H,15-16H2,1H3,(H,27,30)(H,28,29)