1-[(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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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+]2CCC(CC2)C(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S/c1-5-24(6-2)29(27,28)18-13-17(8-7-14(18)3)22-20(26)15(4)23-11-9-16(10-12-23)19(21)25/h7-8,13,15-16H,5-6,9-12H2,1-4H3,(H2,21,25)(H,22,26)/p+1/t15-/m0/s1