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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-15(2)18(20-27(24,25)16-10-6-5-7-11-16)19(23)26-14-17(22)21-12-8-3-4-9-13-21/h5-7,10-11,15,18,20H,3-4,8-9,12-14H2,1-2H3/t18-/m0/s1