N-[4-(cyanomethyl)phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c23-14-10-19-6-8-21(9-7-19)24-22(26)20-11-15-25(16-12-20)29(27,28)17-13-18-4-2-1-3-5-18/h1-9,13,17,20H,10-12,15-16H2,(H,24,26)/b17-13+