(E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-N-[3-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)-N-[3-(methylthio)phenyl]acrylamide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H24N2O5S2/c1-27-19-8-6-16(14-20(19)30(25,26)23-10-12-28-13-11-23)7-9-21(24)22-17-4-3-5-18(15-17)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,24)/b9-7+