(E)-3-phenylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-phenylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-phenylsulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(phenylthio)-N-[4-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-phenylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(phenylthio)-N-(4-piperidinosulfonylphenyl)acrylamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c23-20(13-16-26-18-7-3-1-4-8-18)21-17-9-11-19(12-10-17)27(24,25)22-14-5-2-6-15-22/h1,3-4,7-13,16H,2,5-6,14-15H2,(H,21,23)/b16-13+