5-bromanyl-1-(4-methylphenyl)sulfonyl-indole-2-carboxylic acid

Systemtic Name: 5-bromanyl-1-(4-methylphenyl)sulfonyl-indole-2-carboxylic acid Openeye Name: 5-bromo-1-(p-tolylsulfonyl)indole-2-carboxylic acid CAS Name: 5-bromo-1-(4-methylphenyl)sulfonyl-2-indolecarboxylic acid IUPAC Name: 5-bromo-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid Traditional Name: 5-bromo-1-tosyl-indole-2-carboxylic acid Formula: C16H12BrNO4S MolecularWeight: 394.23978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C=C2C(=O)O

InChI

InChI=1S/C16H12BrNO4S/c1-10-2-5-13(6-3-10)23(21,22)18-14-7-4-12(17)8-11(14)9-15(18)16(19)20/h2-9H,1H3,(H,19,20)