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

Systemtic Name: 3-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzenesulfonamide Openeye Name: 3-cyano-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide CAS Name: 3-cyano-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide Traditional Name: 3-cyano-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-16-5-7-18(8-6-16)20(15-23-9-11-26-12-10-23)22-27(24,25)19-4-2-3-17(13-19)14-21/h2-8,13,20,22H,9-12,15H2,1H3/p+1/t20-/m0/s1