N-[[1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperidin-2-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperidin-2-yl]methyl]methanesulfonamide Openeye Name: N-[[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-2-piperidyl]methyl]methanesulfonamide CAS Name: N-[[1-[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-2-piperidinyl]methyl]methanesulfonamide IUPAC Name: N-[[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide Traditional Name: N-[[1-[1-[(E)-3-phenylacryloyl]isonipecotoyl]-2-piperidyl]methyl]methanesulfonamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1CCCCN1C(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NCC1CCCCN1C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O4S/c1-30(28,29)23-17-20-9-5-6-14-25(20)22(27)19-12-15-24(16-13-19)21(26)11-10-18-7-3-2-4-8-18/h2-4,7-8,10-11,19-20,23H,5-6,9,12-17H2,1H3/b11-10+