tert-butyl 1-(4-methylphenyl)sulfonyl-3-phenyl-indole-2-carboxylate

Systemtic Name: tert-butyl 1-(4-methylphenyl)sulfonyl-3-phenyl-indole-2-carboxylate Openeye Name: tert-butyl 3-phenyl-1-(p-tolylsulfonyl)indole-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-2-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carboxylate Traditional Name: 3-phenyl-1-tosyl-indole-2-carboxylic acid tert-butyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H25NO4S/c1-18-14-16-20(17-15-18)32(29,30)27-22-13-9-8-12-21(22)23(19-10-6-5-7-11-19)24(27)25(28)31-26(2,3)4/h5-17H,1-4H3