(E)-3-(3-chlorophenyl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(3-chlorophenyl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(3-chlorophenyl)-2-cyano-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(3-chlorophenyl)-2-cyano-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-chlorophenyl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-chlorophenyl)-2-cyano-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3S/c22-18-7-4-6-16(13-18)12-17(15-23)21(26)24-19-8-5-9-20(14-19)29(27,28)25-10-2-1-3-11-25/h4-9,12-14H,1-3,10-11H2,(H,24,26)/b17-12+