2-[[2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-chlorophenyl)-4-(p-tolylsulfonyl)oxazol-5-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-oxazolyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(4-chlorophenyl)-4-tosyl-oxazol-5-yl]amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=C(C=C3)Cl)NCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=C(C=C3)Cl)NCC[NH+](C)C

InChI

InChI=1S/C20H22ClN3O3S/c1-14-4-10-17(11-5-14)28(25,26)20-19(22-12-13-24(2)3)27-18(23-20)15-6-8-16(21)9-7-15/h4-11,22H,12-13H2,1-3H3/p+1