4-[4-[(2-methylphenyl)sulfonylamino]-5-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]benzoic acid

Systemtic Name: 4-[4-[(2-methylphenyl)sulfonylamino]-5-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]benzoic acid Openeye Name: 4-[5-tert-butoxycarbonyl-4-(o-tolylsulfonylamino)-2-thienyl]benzoic acid CAS Name: 4-[4-[(2-methylphenyl)sulfonylamino]-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[4-[(2-methylphenyl)sulfonylamino]-5-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]benzoic acid Traditional Name: 4-[5-tert-butoxycarbonyl-4-(o-tolylsulfonylamino)-2-thienyl]benzoic acid Formula: C23H23NO6S2 MolecularWeight: 473.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H23NO6S2/c1-14-7-5-6-8-19(14)32(28,29)24-17-13-18(15-9-11-16(12-10-15)21(25)26)31-20(17)22(27)30-23(2,3)4/h5-13,24H,1-4H3,(H,25,26)