6-chloranyl-1-(3-methylsulfonylpropyl)indole-2-carboxylic acid

Systemtic Name: 6-chloranyl-1-(3-methylsulfonylpropyl)indole-2-carboxylic acid Openeye Name: 6-chloro-1-(3-methylsulfonylpropyl)indole-2-carboxylic acid CAS Name: 6-chloro-1-(3-methylsulfonylpropyl)-2-indolecarboxylic acid IUPAC Name: 6-chloro-1-(3-methylsulfonylpropyl)indole-2-carboxylic acid Traditional Name: 6-chloro-1-(3-mesylpropyl)indole-2-carboxylic acid Formula: C13H14ClNO4S MolecularWeight: 315.77256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCN1C(=CC2=C1C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCCN1C(=CC2=C1C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H14ClNO4S/c1-20(18,19)6-2-5-15-11-8-10(14)4-3-9(11)7-12(15)13(16)17/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)