1-[(4-chlorophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-5-methylsulfonyl-2-indolecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-methylsulfonylindole-2-carboxylic acid Traditional Name: 1-(4-chlorobenzyl)-5-mesyl-indole-2-carboxylic acid Formula: C17H14ClNO4S MolecularWeight: 363.81536

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO4S/c1-24(22,23)14-6-7-15-12(8-14)9-16(17(20)21)19(15)10-11-2-4-13(18)5-3-11/h2-9H,10H2,1H3,(H,20,21)