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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-pyrazol-1-ylpyridin-3-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-pyrazol-1-yl-3-pyridyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(1-pyrazolyl)-3-pyridinyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-pyrazol-1-ylpyridin-3-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-pyrazol-1-yl-3-pyridyl)acrylamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C23H25N5O3S/c29-22(26-21-7-5-14-24-23(21)28-18-6-15-25-28)13-10-19-8-11-20(12-9-19)32(30,31)27-16-3-1-2-4-17-27/h5-15,18H,1-4,16-17H2,(H,26,29)/b13-10+