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

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)acrylamide Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H30N2O6S/c1-2-31-22-11-9-20(18-24(22)34(29,30)27-13-4-3-5-14-27)26-25(28)12-8-19-7-10-21-23(17-19)33-16-6-15-32-21/h7-12,17-18H,2-6,13-16H2,1H3,(H,26,28)/b12-8+