[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-15(2)21(23-30(27,28)18-10-5-4-6-11-18)22(26)29-14-20(25)24-16(3)13-17-9-7-8-12-19(17)24/h4-12,15-16,21,23H,13-14H2,1-3H3/t16?,21-/m0/s1