(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acrylamide Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C=CC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H26N2O7S/c1-29-20-7-5-18(33(27,28)25-9-13-30-14-10-25)16-19(20)24-23(26)8-4-17-3-6-21-22(15-17)32-12-2-11-31-21/h3-8,15-16H,2,9-14H2,1H3,(H,24,26)/b8-4+