3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-methyl-prop-2-enamide

Systemtic Name: 3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-methyl-prop-2-enamide Openeye Name: 3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-methyl-prop-2-enamide CAS Name: 3-[3-[3-(1-azepanylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]-2-cyano-N-methyl-2-propenamide IUPAC Name: 3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-methylprop-2-enamide Traditional Name: 3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-methyl-acrylamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CNC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H27N5O3S/c1-28-26(32)21(18-27)16-22-19-31(23-11-5-4-6-12-23)29-25(22)20-10-9-13-24(17-20)35(33,34)30-14-7-2-3-8-15-30/h4-6,9-13,16-17,19H,2-3,7-8,14-15H2,1H3,(H,28,32)