[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H24N2O5S2/c19-14(18-10-4-2-1-3-5-11-18)13-23-15(20)8-9-17-25(21,22)16-7-6-12-24-16/h6-7,12,17H,1-5,8-11,13H2