(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-N-methylprop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-piperonyl-acrylamide Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N2O5S/c1-25(17-20-8-12-22-23(16-20)31-18-30-22)24(27)13-9-19-6-10-21(11-7-19)32(28,29)26-14-4-2-3-5-15-26/h6-13,16H,2-5,14-15,17-18H2,1H3/b13-9+