1-[(E)-3-phenylprop-2-enoyl]-N-(1-propylsulfonylpiperidin-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-phenylprop-2-enoyl]-N-(1-propylsulfonylpiperidin-4-yl)piperidine-4-carboxamide Openeye Name: 1-[(E)-3-phenylprop-2-enoyl]-N-(1-propylsulfonyl-4-piperidyl)piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-(1-propylsulfonyl-4-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-phenylprop-2-enoyl]-N-(1-propylsulfonylpiperidin-4-yl)piperidine-4-carboxamide Traditional Name: 1-[(E)-3-phenylacryloyl]-N-(1-propylsulfonyl-4-piperidyl)isonipecotamide Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H33N3O4S/c1-2-18-31(29,30)26-16-12-21(13-17-26)24-23(28)20-10-14-25(15-11-20)22(27)9-8-19-6-4-3-5-7-19/h3-9,20-21H,2,10-18H2,1H3,(H,24,28)/b9-8+