methyl 1-[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C20H31N3O5S/c1-5-23(6-2)29(26,27)17-8-7-15(3)18(13-17)21-19(24)14-22-11-9-16(10-12-22)20(25)28-4/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,21,24)/p+1