5-bromanyl-3-[(2-methylphenyl)sulfonylamino]-3-[(4-methylphenyl)sulfonylamino]-5-phenyl-4-thiophen-2-ylcarbonyl-thiolane-2-carboxylic acid

Systemtic Name: 5-bromanyl-3-[(2-methylphenyl)sulfonylamino]-3-[(4-methylphenyl)sulfonylamino]-5-phenyl-4-thiophen-2-ylcarbonyl-thiolane-2-carboxylic acid Openeye Name: 5-bromo-3-(o-tolylsulfonylamino)-5-phenyl-3-(p-tolylsulfonylamino)-4-(thiophene-2-carbonyl)tetrahydrothiophene-2-carboxylic acid CAS Name: 5-bromo-3-[(2-methylphenyl)sulfonylamino]-3-[(4-methylphenyl)sulfonylamino]-4-[oxo(thiophen-2-yl)methyl]-5-phenyl-2-thiolanecarboxylic acid IUPAC Name: 5-bromo-3-[(2-methylphenyl)sulfonylamino]-3-[(4-methylphenyl)sulfonylamino]-5-phenyl-4-(thiophene-2-carbonyl)thiolane-2-carboxylic acid Traditional Name: 5-bromo-3-(o-tolylsulfonylamino)-5-phenyl-4-(2-thenoyl)-3-(tosylamino)tetrahydrothiophene-2-carboxylic acid Formula: C30H27BrN2O7S4 MolecularWeight: 735.70858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2(C(C(SC2C(=O)O)(C3=CC=CC=C3)Br)C(=O)C4=CC=CS4)NS(=O)(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2(C(C(SC2C(=O)O)(C3=CC=CC=C3)Br)C(=O)C4=CC=CS4)NS(=O)(=O)C5=CC=CC=C5C

InChI

InChI=1S/C30H27BrN2O7S4/c1-19-14-16-22(17-15-19)43(37,38)32-30(33-44(39,40)24-13-7-6-9-20(24)2)26(25(34)23-12-8-18-41-23)29(31,42-27(30)28(35)36)21-10-4-3-5-11-21/h3-18,26-27,32-33H,1-2H3,(H,35,36)