methyl 1-[(2R)-1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-[3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-[3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C18H27N3O5S/c1-13(21-10-8-14(9-11-21)18(23)26-4)17(22)19-15-6-5-7-16(12-15)27(24,25)20(2)3/h5-7,12-14H,8-11H2,1-4H3,(H,19,22)/p+1/t13-/m1/s1