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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-fluorophenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-fluorophenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-fluorophenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-fluorophenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-fluorophenyl)acrylamide Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H23FN2O3S/c22-19-7-3-4-8-20(19)23-21(25)14-11-17-9-12-18(13-10-17)28(26,27)24-15-5-1-2-6-16-24/h3-4,7-14H,1-2,5-6,15-16H2,(H,23,25)/b14-11+