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

Systemtic Name: (3R)-1-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4S/c1-15(20(26)23-18-9-11-19(12-10-18)30(22,28)29)25-13-5-6-16(14-25)21(27)24-17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,23,26)(H,24,27)(H2,22,28,29)/p+1/t15-,16+/m0/s1