[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C16H22N2O5S3 MolecularWeight: 418.55128

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C16H22N2O5S3/c17-26(21,22)14-6-3-4-12(10-14)18-15(19)11-23-16(20)7-2-1-5-13-8-9-24-25-13/h3-4,6,10,13H,1-2,5,7-9,11H2,(H,18,19)(H2,17,21,22)/t13-/m0/s1