1-[(4-methylsulfonylphenyl)methyl]indole-3-carboxylic acid

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]indole-3-carboxylic acid Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]indole-3-carboxylic acid CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-3-indolecarboxylic acid IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]indole-3-carboxylic acid Traditional Name: 1-(4-mesylbenzyl)indole-3-carboxylic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H15NO4S/c1-23(21,22)13-8-6-12(7-9-13)10-18-11-15(17(19)20)14-4-2-3-5-16(14)18/h2-9,11H,10H2,1H3,(H,19,20)