(E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-thienyl)acrylamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H24N2O4S2/c1-26-19-10-9-17(28(24,25)22-12-4-2-3-5-13-22)15-18(19)21-20(23)11-8-16-7-6-14-27-16/h6-11,14-15H,2-5,12-13H2,1H3,(H,21,23)/b11-8+