1-(4-tert-butylphenyl)sulfonyl-5-chloranyl-indole-3-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-5-chloranyl-indole-3-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-5-chloro-indole-3-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)sulfonyl-5-chloro-3-indolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-5-chloroindole-3-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-5-chloro-indole-3-carboxylic acid Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C19H18ClNO4S/c1-19(2,3)12-4-7-14(8-5-12)26(24,25)21-11-16(18(22)23)15-10-13(20)6-9-17(15)21/h4-11H,1-3H3,(H,22,23)