4-methyl-N-(4-methylphenyl)-N-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-(4-methylphenyl)-N-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-4-methyl-N-(p-tolyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-4-methyl-N-(p-tolyl)benzenesulfonamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+]2CCOCC2)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C[C@H](C[NH+]2CCOCC2)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N2O4S/c1-17-3-7-19(8-4-17)23(16-20(24)15-22-11-13-27-14-12-22)28(25,26)21-9-5-18(2)6-10-21/h3-10,20,24H,11-16H2,1-2H3/p+1/t20-/m0/s1