2-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-(4-methylsulfonylphenyl)-3H-thiophene-2-carboxylic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-(4-methylsulfonylphenyl)-3H-thiophene-2-carboxylic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(4-methylsulfonylphenyl)-3H-thiophene-2-carboxylic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-5-(4-methylsulfonylphenyl)-3H-thiophene-2-carboxylic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-propan-2-ylamino]-5-(4-methylsulfonylphenyl)-3H-thiophene-2-carboxylic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(4-mesylphenyl)-3H-thiophene-2-carboxylic acid Formula: C22H21Cl2NO5S2 MolecularWeight: 514.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(=O)C1=C(C=C(C=C1)Cl)Cl)C2(CC=C(S2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)N(C(=O)C1=C(C=C(C=C1)Cl)Cl)C2(CC=C(S2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C22H21Cl2NO5S2/c1-13(2)25(20(26)17-9-6-15(23)12-18(17)24)22(21(27)28)11-10-19(31-22)14-4-7-16(8-5-14)32(3,29)30/h4-10,12-13H,11H2,1-3H3,(H,27,28)