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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methylbutan-2-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,1-dimethylpropyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-methylbutan-2-yl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methylbutan-2-yl)prop-2-enamide Traditional Name: (E)-N-tert-amyl-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylamide Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC(C)(C)NC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H30N2O3S/c1-4-20(2,3)21-19(23)14-11-17-9-12-18(13-10-17)26(24,25)22-15-7-5-6-8-16-22/h9-14H,4-8,15-16H2,1-3H3,(H,21,23)/b14-11+