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

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]propanamide Traditional Name: 3-besyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]propionamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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