(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-N-(3-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-N-[3-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)-N-[3-(methylthio)phenyl]acrylamide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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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)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O4S2/c1-28-20-11-9-17(15-21(20)30(26,27)24-13-4-3-5-14-24)10-12-22(25)23-18-7-6-8-19(16-18)29-2/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,23,25)/b12-10+