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

Systemtic Name: 1-[(E)-3-phenylprop-2-enoyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(E)-3-phenylprop-2-enoyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-phenylprop-2-enoyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-[(E)-3-phenylacryloyl]-N-(4-pyrrolidinosulfonylphenyl)isonipecotamide Formula: C25H29N3O4S MolecularWeight: 467.58046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c29-24(13-8-20-6-2-1-3-7-20)27-18-14-21(15-19-27)25(30)26-22-9-11-23(12-10-22)33(31,32)28-16-4-5-17-28/h1-3,6-13,21H,4-5,14-19H2,(H,26,30)/b13-8+