methyl 3-(4-tert-butylphenyl)sulfonyl-5-chloranyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-(4-tert-butylphenyl)sulfonyl-5-chloranyl-1H-indole-2-carboxylate Openeye Name: methyl 3-(4-tert-butylphenyl)sulfonyl-5-chloro-1H-indole-2-carboxylate CAS Name: 3-(4-tert-butylphenyl)sulfonyl-5-chloro-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-tert-butylphenyl)sulfonyl-5-chloro-1H-indole-2-carboxylate Traditional Name: 3-(4-tert-butylphenyl)sulfonyl-5-chloro-1H-indole-2-carboxylic acid methyl ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H20ClNO4S/c1-20(2,3)12-5-8-14(9-6-12)27(24,25)18-15-11-13(21)7-10-16(15)22-17(18)19(23)26-4/h5-11,22H,1-4H3