2-cyano-N-ethyl-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: 2-cyano-N-ethyl-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: 2-cyano-N-ethyl-3-[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-N-ethyl-3-[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenamide IUPAC Name: 2-cyano-N-ethyl-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: 2-cyano-N-ethyl-3-[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]acrylamide Formula: C26H27N5O3S MolecularWeight: 489.58928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCNC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H27N5O3S/c1-2-28-26(32)21(18-27)16-22-19-31(23-11-5-3-6-12-23)29-25(22)20-10-9-13-24(17-20)35(33,34)30-14-7-4-8-15-30/h3,5-6,9-13,16-17,19H,2,4,7-8,14-15H2,1H3,(H,28,32)