[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5S/c1-14(2)21(25-31(28,29)17-10-6-5-7-11-17)23(27)30-16(4)22(26)20-15(3)24-19-13-9-8-12-18(19)20/h5-14,16,21,24-25H,1-4H3/t16?,21-/m0/s1