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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]acrylamide Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NCC3=CC(=NC=C3)N4C=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

InChI

InChI=1S/C24H27N5O3S/c30-24(26-19-21-12-14-25-23(18-21)29-17-5-13-27-29)11-8-20-6-9-22(10-7-20)33(31,32)28-15-3-1-2-4-16-28/h5-14,17-18H,1-4,15-16,19H2,(H,26,30)/b11-8+