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

Systemtic Name: methyl 1-[2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[4-methyl-3-(methylsulfamoyl)anilino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)S(=O)(=O)NC

InChI

InChI=1S/C17H25N3O5S/c1-12-4-5-14(10-15(12)26(23,24)18-2)19-16(21)11-20-8-6-13(7-9-20)17(22)25-3/h4-5,10,13,18H,6-9,11H2,1-3H3,(H,19,21)/p+1