(E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acrylamide Formula: C21H22N2O7S MolecularWeight: 446.47358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O7S/c1-27-18-6-4-16(31(25,26)23-8-10-28-11-9-23)13-17(18)22-21(24)7-3-15-2-5-19-20(12-15)30-14-29-19/h2-7,12-13H,8-11,14H2,1H3,(H,22,24)/b7-3+