5-chloranyl-1-methyl-3-(phenylsulfonyl)indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-1-methyl-3-(phenylsulfonyl)indole-2-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-5-chloro-1-methyl-indole-2-carboxylic acid CAS Name: 3-(benzenesulfonyl)-5-chloro-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-(benzenesulfonyl)-5-chloro-1-methylindole-2-carboxylic acid Traditional Name: 3-besyl-5-chloro-1-methyl-indole-2-carboxylic acid Formula: C16H12ClNO4S MolecularWeight: 349.78878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C1C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C1C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H12ClNO4S/c1-18-13-8-7-10(17)9-12(13)15(14(18)16(19)20)23(21,22)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20)