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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1C=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1C=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

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