3-(4-methylphenyl)sulfonyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propanamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]propanamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-tosyl-propionamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-18-7-9-20(10-8-18)29(26,27)16-11-22(25)23-21(19-5-3-2-4-6-19)17-24-12-14-28-15-13-24/h2-10,21H,11-17H2,1H3,(H,23,25)/p+1/t21-/m0/s1