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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methoxy-3-pyridyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(6-methoxy-3-pyridinyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methoxy-3-pyridyl)acrylamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O4S/c1-28-21-13-9-18(16-22-21)23-20(25)12-8-17-6-10-19(11-7-17)29(26,27)24-14-4-2-3-5-15-24/h6-13,16H,2-5,14-15H2,1H3,(H,23,25)/b12-8+