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

Systemtic Name: N-(4-methoxyphenyl)-4-methyl-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]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-17-3-9-21(10-4-17)29(25,26)23(18-5-7-20(27-2)8-6-18)16-19(24)15-22-11-13-28-14-12-22/h3-10,19,24H,11-16H2,1-2H3/p+1/t19-/m0/s1