(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-yl-phenyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-yl-phenyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholino-phenyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholino-phenyl]acrylamide Formula: C28H26N4O7S MolecularWeight: 562.59364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N)N5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/C#N)N5CCOCC5

InChI

InChI=1S/C28H26N4O7S/c1-36-23-6-3-21(4-7-23)31-40(34,35)27-16-22(5-8-24(27)32-10-12-37-13-11-32)30-28(33)20(17-29)14-19-2-9-25-26(15-19)39-18-38-25/h2-9,14-16,31H,10-13,18H2,1H3,(H,30,33)/b20-14+