ethyl (3S)-1-[2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H30N3O6S+ MolecularWeight: 428.523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)OC

InChI

InChI=1S/C19H29N3O6S/c1-5-28-19(24)14-7-6-10-22(12-14)13-18(23)20-16-11-15(8-9-17(16)27-4)29(25,26)21(2)3/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H,20,23)/p+1/t14-/m0/s1