1-[(3,4-dichlorophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-5-methylsulfonyl-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-5-methylsulfonylindole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-5-mesyl-indole-2-carboxylic acid Formula: C17H13Cl2NO4S MolecularWeight: 398.26042

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl2NO4S/c1-25(23,24)12-3-5-15-11(7-12)8-16(17(21)22)20(15)9-10-2-4-13(18)14(19)6-10/h2-8H,9H2,1H3,(H,21,22)