(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1-piperidyl)-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2-piperidino-5-piperidinosulfonyl-phenyl)acrylamide Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C(=CC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/C#N

InChI

InChI=1S/C27H30N4O5S/c28-18-21(15-20-7-10-25-26(16-20)36-19-35-25)27(32)29-23-17-22(37(33,34)31-13-5-2-6-14-31)8-9-24(23)30-11-3-1-4-12-30/h7-10,15-17H,1-6,11-14,19H2,(H,29,32)/b21-15+