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

Systemtic Name: 4-ethanoyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide CAS Name: 4-acetyl-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide Traditional Name: 4-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=C(C=C3)C(=O)C

Isomeric SMILES

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

InChI

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