[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C25H25N3O7S MolecularWeight: 511.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H25N3O7S/c1-17-5-7-20(13-23(17)36(31,32)28-9-3-2-4-10-28)27-24(29)15-33-25(30)19(14-26)11-18-6-8-21-22(12-18)35-16-34-21/h5-8,11-13H,2-4,9-10,15-16H2,1H3,(H,27,29)/b19-11+