N-(4-methylsulfonylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(4-methylsulfonylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(4-methylsulfonylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(4-methylsulfonylphenyl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(4-methylsulfonylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(4-mesylphenyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-29(27,28)20-10-8-19(9-11-20)23-22(26)18-13-15-24(16-14-18)21(25)12-7-17-5-3-2-4-6-17/h2-12,18H,13-16H2,1H3,(H,23,26)/b12-7+