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

Systemtic Name: ethyl 4-[2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H33N4O5S+ MolecularWeight: 441.56482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O5S/c1-5-24(6-2)30(27,28)18-14-17(9-8-16(18)4)21-19(25)15-22-10-12-23(13-11-22)20(26)29-7-3/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,21,25)/p+1