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

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3S/c30-23(26-19-21-7-5-14-25-24(21)29-18-6-15-27-29)13-10-20-8-11-22(12-9-20)33(31,32)28-16-3-1-2-4-17-28/h5-15,18H,1-4,16-17,19H2,(H,26,30)/b13-10+