methyl 1-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(3-sulfamoylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(3-sulfamoylanilino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(3-sulfamoylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(3-sulfamoylanilino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C15H22N3O5S+ MolecularWeight: 356.41728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C15H21N3O5S/c1-23-15(20)11-5-7-18(8-6-11)10-14(19)17-12-3-2-4-13(9-12)24(16,21)22/h2-4,9,11H,5-8,10H2,1H3,(H,17,19)(H2,16,21,22)/p+1