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

Systemtic Name: 1-[(E)-3-phenylprop-2-enoyl]-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[3-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[3-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-phenylprop-2-enoyl]-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-[(E)-3-phenylacryloyl]-N-(3-piperidinosulfonylphenyl)isonipecotamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4S/c30-25(13-12-21-8-3-1-4-9-21)28-18-14-22(15-19-28)26(31)27-23-10-7-11-24(20-23)34(32,33)29-16-5-2-6-17-29/h1,3-4,7-13,20,22H,2,5-6,14-19H2,(H,27,31)/b13-12+