1-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]-N-(4-sulfamoylphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H28N4O4S/c1-15-4-3-5-19(14-15)25-21(27)16(2)26-12-10-17(11-13-26)22(28)24-18-6-8-20(9-7-18)31(23,29)30/h3-9,14,16-17H,10-13H2,1-2H3,(H,24,28)(H,25,27)(H2,23,29,30)/p+1/t16-/m0/s1