(1-oxidanylidene-1-phenylazanyl-butan-2-yl) (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: 1-(phenylcarbamoyl)propyl (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid 1-(phenylcarbamoyl)propyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-4-18(20(24)22-16-11-7-5-8-12-16)28-21(25)19(15(2)3)23-29(26,27)17-13-9-6-10-14-17/h5-15,18-19,23H,4H2,1-3H3,(H,22,24)/t18?,19-/m0/s1