6-tert-butyl-5-(4-methylphenyl)sulfonylsulfanyl-indole-1-carboxylic acid

Systemtic Name: 6-tert-butyl-5-(4-methylphenyl)sulfonylsulfanyl-indole-1-carboxylic acid Openeye Name: 6-tert-butyl-5-(p-tolylsulfonylsulfanyl)indole-1-carboxylic acid CAS Name: 6-tert-butyl-5-[(4-methylphenyl)sulfonylthio]-1-indolecarboxylic acid IUPAC Name: 6-tert-butyl-5-(4-methylphenyl)sulfonylsulfanylindole-1-carboxylic acid Traditional Name: 6-tert-butyl-5-(tosylthio)indole-1-carboxylic acid Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2=C(C=C3C(=C2)C=CN3C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2=C(C=C3C(=C2)C=CN3C(=O)O)C(C)(C)C

InChI

InChI=1S/C20H21NO4S2/c1-13-5-7-15(8-6-13)27(24,25)26-18-11-14-9-10-21(19(22)23)17(14)12-16(18)20(2,3)4/h5-12H,1-4H3,(H,22,23)