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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/C#N

InChI

InChI=1S/C22H21N3O5S/c23-14-17(11-16-7-8-20-21(12-16)30-15-29-20)22(26)24-18-5-4-6-19(13-18)31(27,28)25-9-2-1-3-10-25/h4-8,11-13H,1-3,9-10,15H2,(H,24,26)/b17-11+