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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

InChI

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