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

Systemtic Name: tert-butyl 3-(4-methoxyphenyl)-2-oxidanylidene-3-[2-(phenylsulfonyl)ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(benzenesulfonyl)ethyl]-3-(4-methoxyphenyl)-2-oxo-indoline-1-carboxylate CAS Name: 3-[2-(benzenesulfonyl)ethyl]-3-(4-methoxyphenyl)-2-oxo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(benzenesulfonyl)ethyl]-3-(4-methoxyphenyl)-2-oxoindole-1-carboxylate Traditional Name: 3-(2-besylethyl)-2-keto-3-(4-methoxyphenyl)indoline-1-carboxylic acid tert-butyl ester Formula: C28H29NO6S MolecularWeight: 507.59796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(CCS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(CCS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29NO6S/c1-27(2,3)35-26(31)29-24-13-9-8-12-23(24)28(25(29)30,20-14-16-21(34-4)17-15-20)18-19-36(32,33)22-10-6-5-7-11-22/h5-17H,18-19H2,1-4H3