N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4S/c1-30(28,29)18-8-9-19(23)20(15-18)24-22(27)17-11-13-25(14-12-17)21(26)10-7-16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,24,27)/b10-7+