5-methyl-1-(phenylsulfonyl)indole-3-carboxylic acid

Systemtic Name: 5-methyl-1-(phenylsulfonyl)indole-3-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-5-methyl-indole-3-carboxylic acid CAS Name: 1-(benzenesulfonyl)-5-methyl-3-indolecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-5-methylindole-3-carboxylic acid Traditional Name: 1-besyl-5-methyl-indole-3-carboxylic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO4S/c1-11-7-8-15-13(9-11)14(16(18)19)10-17(15)22(20,21)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)