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

Systemtic Name: (E)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-phenylsulfanyl-prop-2-enamide Openeye Name: (E)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-phenylsulfanyl-prop-2-enamide CAS Name: (E)-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3-(phenylthio)-2-propenamide IUPAC Name: (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-phenylsulfanylprop-2-enamide Traditional Name: (E)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)-3-(phenylthio)acrylamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C=CSC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C=C/SC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24N2O4S2/c1-27-19-11-10-17(16-20(19)29(25,26)23-13-6-3-7-14-23)22-21(24)12-15-28-18-8-4-2-5-9-18/h2,4-5,8-12,15-16H,3,6-7,13-14H2,1H3,(H,22,24)/b15-12+