ethyl (3S)-1-[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[4-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[4-(dimethylsulfamoyl)anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-4-26-18(23)14-6-5-11-21(12-14)13-17(22)19-15-7-9-16(10-8-15)27(24,25)20(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,22)/p+1/t14-/m0/s1