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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(furan-2-ylmethyl)-N-methyl-prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-furylmethyl)-N-methyl-prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-furanylmethyl)-N-methyl-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(furan-2-ylmethyl)-N-methylprop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-furfuryl)-N-methyl-acrylamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-22(17-19-7-6-16-27-19)21(24)13-10-18-8-11-20(12-9-18)28(25,26)23-14-4-2-3-5-15-23/h6-13,16H,2-5,14-15,17H2,1H3/b13-10+