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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c29-24(12-11-20-7-2-1-3-8-20)27-17-13-21(14-18-27)25(30)26-22-9-6-10-23(19-22)33(31,32)28-15-4-5-16-28/h1-3,6-12,19,21H,4-5,13-18H2,(H,26,30)/b12-11+