(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(2-pyridyl)thiazol-2-yl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[4-(2-pyridinyl)-2-thiazolyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(2-pyridyl)thiazol-2-yl]acrylamide Formula: C23H24N4O3S2 MolecularWeight: 468.59166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=NC(=CS3)C4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=NC(=CS3)C4=CC=CC=N4

InChI

InChI=1S/C23H24N4O3S2/c28-22(26-23-25-21(17-31-23)20-7-3-4-14-24-20)13-10-18-8-11-19(12-9-18)32(29,30)27-15-5-1-2-6-16-27/h3-4,7-14,17H,1-2,5-6,15-16H2,(H,25,26,28)/b13-10+