(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-pyrazol-1-ylpyridin-3-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-pyrazol-1-ylpyridin-3-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-pyrazol-1-yl-3-pyridyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[6-(1-pyrazolyl)-3-pyridinyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-pyrazol-1-ylpyridin-3-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-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=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

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

InChI

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