tert-butyl 3-(4-methylphenyl)-2-oxidanylidene-3-[2-(phenylsulfonyl)ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-(4-methylphenyl)-2-oxidanylidene-3-[2-(phenylsulfonyl)ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(benzenesulfonyl)ethyl]-2-oxo-3-(p-tolyl)indoline-1-carboxylate CAS Name: 3-[2-(benzenesulfonyl)ethyl]-3-(4-methylphenyl)-2-oxo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(benzenesulfonyl)ethyl]-3-(4-methylphenyl)-2-oxoindole-1-carboxylate Traditional Name: 3-(2-besylethyl)-2-keto-3-(p-tolyl)indoline-1-carboxylic acid tert-butyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C3=CC=CC=C3N(C2=O)C(=O)OC(C)(C)C)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2(C3=CC=CC=C3N(C2=O)C(=O)OC(C)(C)C)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO5S/c1-20-14-16-21(17-15-20)28(18-19-35(32,33)22-10-6-5-7-11-22)23-12-8-9-13-24(23)29(25(28)30)26(31)34-27(2,3)4/h5-17H,18-19H2,1-4H3