tert-butyl 3-(3,5-dimethylphenyl)-2-oxidanylidene-3-[2-(phenylsulfonyl)ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-(3,5-dimethylphenyl)-2-oxidanylidene-3-[2-(phenylsulfonyl)ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(benzenesulfonyl)ethyl]-3-(3,5-dimethylphenyl)-2-oxo-indoline-1-carboxylate CAS Name: 3-[2-(benzenesulfonyl)ethyl]-3-(3,5-dimethylphenyl)-2-oxo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(benzenesulfonyl)ethyl]-3-(3,5-dimethylphenyl)-2-oxoindole-1-carboxylate Traditional Name: 3-(2-besylethyl)-3-(3,5-dimethylphenyl)-2-keto-indoline-1-carboxylic acid tert-butyl ester Formula: C29H31NO5S MolecularWeight: 505.62514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO5S/c1-20-17-21(2)19-22(18-20)29(15-16-36(33,34)23-11-7-6-8-12-23)24-13-9-10-14-25(24)30(26(29)31)27(32)35-28(3,4)5/h6-14,17-19H,15-16H2,1-5H3