(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloranylpyridin-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloranylpyridin-2-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloro-2-pyridyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(5-chloro-2-pyridinyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloropyridin-2-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloro-2-pyridyl)acrylamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O3S/c21-17-8-11-19(22-15-17)23-20(25)12-7-16-5-9-18(10-6-16)28(26,27)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14H2,(H,22,23,25)/b12-7+