ethyl (3S)-4-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]thiomorpholin-4-ium-3-carboxylate

Systemtic Name: ethyl (3S)-4-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]thiomorpholin-4-ium-3-carboxylate Openeye Name: ethyl (3S)-4-[2-oxo-2-(4-sulfamoylanilino)ethyl]thiomorpholin-4-ium-3-carboxylate CAS Name: (3S)-4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[2-oxo-2-(4-sulfamoylanilino)ethyl]thiomorpholin-4-ium-3-carboxylate Traditional Name: (3S)-4-[2-keto-2-(4-sulfamoylanilino)ethyl]thiomorpholin-4-ium-3-carboxylic acid ethyl ester Formula: C15H22N3O5S2+ MolecularWeight: 388.48228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCC[NH+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)[C@H]1CSCC[NH+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H21N3O5S2/c1-2-23-15(20)13-10-24-8-7-18(13)9-14(19)17-11-3-5-12(6-4-11)25(16,21)22/h3-6,13H,2,7-10H2,1H3,(H,17,19)(H2,16,21,22)/p+1/t13-/m1/s1