3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCN1C2=CC=CC=C2NC1=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCCN1C2=CC=CC=C2NC1=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-15(2)19(23-30(27,28)16-9-4-3-5-10-16)20(25)29-14-8-13-24-18-12-7-6-11-17(18)22-21(24)26/h3-7,9-12,15,19,23H,8,13-14H2,1-2H3,(H,22,26)/t19-/m0/s1