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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3S/c1-16(2)17(3)21-20(23)13-10-18-8-11-19(12-9-18)26(24,25)22-14-6-4-5-7-15-22/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,21,23)/b13-10+