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

Systemtic Name: ethyl 4-[(2R)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H35N4O5S+ MolecularWeight: 455.5914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O5S/c1-6-25(7-2)31(28,29)19-15-18(10-9-16(19)4)22-20(26)17(5)23-11-13-24(14-12-23)21(27)30-8-3/h9-10,15,17H,6-8,11-14H2,1-5H3,(H,22,26)/p+1/t17-/m1/s1