[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2R)-3-methyl-2-(2-thienylsulfonylamino)butanoate CAS Name: (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thienylsulfonylamino)butyric acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H28N2O5S2 MolecularWeight: 416.55532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCCC1)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)N1CCCCCCC1)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H28N2O5S2/c1-14(2)17(19-27(23,24)16-9-8-12-26-16)18(22)25-13-15(21)20-10-6-4-3-5-7-11-20/h8-9,12,14,17,19H,3-7,10-11,13H2,1-2H3/t17-/m1/s1