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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H30N2O5S/c1-15(2)18(21-28(25,26)17-11-7-6-8-12-17)20(24)27-16(3)19(23)22-13-9-4-5-10-14-22/h6-8,11-12,15-16,18,21H,4-5,9-10,13-14H2,1-3H3/t16?,18-/m0/s1