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

Systemtic Name: 4-bromanyl-3-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzenesulfonamide Openeye Name: 4-bromo-3-methyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide CAS Name: 4-bromo-3-methyl-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-bromo-3-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide Traditional Name: 4-bromo-3-methyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide Formula: C20H26BrN2O3S+ MolecularWeight: 454.40104

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O3S/c1-15-3-5-17(6-4-15)20(14-23-9-11-26-12-10-23)22-27(24,25)18-7-8-19(21)16(2)13-18/h3-8,13,20,22H,9-12,14H2,1-2H3/p+1/t20-/m0/s1