[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-15(2)19(23-29(26,27)18-12-8-5-9-13-18)21(25)28-16(3)20(24)22-14-17-10-6-4-7-11-17/h4-13,15-16,19,23H,14H2,1-3H3,(H,22,24)/t16?,19-/m0/s1