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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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