1-[(3,4-dichlorophenyl)methyl]-3-[(2-methylsulfonylphenyl)sulfonylamino]indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(2-methylsulfonylphenyl)sulfonylamino]indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(2-methylsulfonylphenyl)sulfonylamino]indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(2-methylsulfonylphenyl)sulfonylamino]-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(2-methylsulfonylphenyl)sulfonylamino]indole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-3-[(2-mesylphenyl)sulfonylamino]indole-2-carboxylic acid Formula: C23H18Cl2N2O6S2 MolecularWeight: 553.43482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C23H18Cl2N2O6S2/c1-34(30,31)19-8-4-5-9-20(19)35(32,33)26-21-15-6-2-3-7-18(15)27(22(21)23(28)29)13-14-10-11-16(24)17(25)12-14/h2-12,26H,13H2,1H3,(H,28,29)