[4-(4-chlorophenyl)-5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]-methyl-oxidanyl-prop-2-enoyl-azanium

Systemtic Name: [4-(4-chlorophenyl)-5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]-methyl-oxidanyl-prop-2-enoyl-azanium Openeye Name: [4-(4-chlorophenyl)-5-(3-methylsulfonylphenyl)oxazol-2-yl]-hydroxy-methyl-prop-2-enoyl-ammonium CAS Name: [4-(4-chlorophenyl)-5-(3-methylsulfonylphenyl)-2-oxazolyl]-hydroxy-methyl-(1-oxoprop-2-enyl)ammonium IUPAC Name: [4-(4-chlorophenyl)-5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]-hydroxy-methyl-prop-2-enoylazanium Traditional Name: acryloyl-[4-(4-chlorophenyl)-5-(3-mesylphenyl)oxazol-2-yl]-hydroxy-methyl-ammonium Formula: C20H18ClN2O5S+ MolecularWeight: 433.88532

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=NC(=C(O1)C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)(C(=O)C=C)O

Isomeric SMILES

C[N+](C1=NC(=C(O1)C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)(C(=O)C=C)O

InChI

InChI=1S/C20H18ClN2O5S/c1-4-17(24)23(2,25)20-22-18(13-8-10-15(21)11-9-13)19(28-20)14-6-5-7-16(12-14)29(3,26)27/h4-12,25H,1H2,2-3H3/q+1