(E)-3-(2,4-dimethoxyphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(2,4-dimethoxyphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(2,4-dimethoxyphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide CAS Name: (E)-3-(2,4-dimethoxyphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(2,4-dimethoxyphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acrylamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC

InChI

InChI=1S/C23H27N3O5S/c1-30-19-12-10-17(21(16-19)31-2)11-13-23(27)25-18-7-6-8-20(15-18)32(28,29)26-22-9-4-3-5-14-24-22/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3,(H,24,26)(H,25,27)/b13-11+