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

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(3-methylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(3-methylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-N-(3-methylsulfonylphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(3-methylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(3-mesylphenyl)acrylamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H26N2O3S/c1-28(26,27)21-8-6-7-19(17-21)23-22(25)14-11-18-9-12-20(13-10-18)24-15-4-2-3-5-16-24/h6-14,17H,2-5,15-16H2,1H3,(H,23,25)/b14-11+