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

Systemtic Name: 3-ethanoyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzenesulfonamide Openeye Name: 3-acetyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide CAS Name: 3-acetyl-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-16-6-8-18(9-7-16)21(15-23-10-12-27-13-11-23)22-28(25,26)20-5-3-4-19(14-20)17(2)24/h3-9,14,21-22H,10-13,15H2,1-2H3/p+1/t21-/m0/s1