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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-5-(4-methylsulfonylphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]-5-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(4-mesylphenyl)-2-thenoic acid Formula: C22H19Cl2NO5S2 MolecularWeight: 512.42596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2NO5S2/c1-12(2)25(21(26)16-9-6-14(23)10-17(16)24)18-11-19(31-20(18)22(27)28)13-4-7-15(8-5-13)32(3,29)30/h4-12H,1-3H3,(H,27,28)