(E)-3-(4-bromophenyl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-2-cyano-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-2-cyano-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-2-cyano-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3S/c22-18-9-7-16(8-10-18)13-17(15-23)21(26)24-19-5-4-6-20(14-19)29(27,28)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12H2,(H,24,26)/b17-13+