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

Systemtic Name: ethyl (3S)-1-[2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H34N3O5S+ MolecularWeight: 440.57676

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)OCC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)OCC)C

InChI

InChI=1S/C21H33N3O5S/c1-5-24(6-2)30(27,28)19-13-18(11-10-16(19)4)22-20(25)15-23-12-8-9-17(14-23)21(26)29-7-3/h10-11,13,17H,5-9,12,14-15H2,1-4H3,(H,22,25)/p+1/t17-/m0/s1