(E)-N-(1-methylsulfonylpiperidin-4-yl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-N-(1-methylsulfonyl-4-piperidyl)prop-2-enamide CAS Name: (E)-N-(1-methylsulfonyl-4-piperidinyl)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-N-(1-mesyl-4-piperidyl)acrylamide Formula: C25H28N4O3S MolecularWeight: 464.57982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S/c1-33(31,32)29-16-14-23(15-17-29)26-24(30)13-12-22-19-28(18-20-8-4-2-5-9-20)27-25(22)21-10-6-3-7-11-21/h2-13,19,23H,14-18H2,1H3,(H,26,30)/b13-12+