(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-methyl-N-[(5-methyl-2-furanyl)methyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]acrylamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-18-7-11-20(28-18)17-23(2)22(25)14-10-19-8-12-21(13-9-19)29(26,27)24-15-5-3-4-6-16-24/h7-14H,3-6,15-17H2,1-2H3/b14-10+