N-[4-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[1-[(E)-3-(3-pyridyl)allyl]piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[oxo-[1-[(E)-3-(3-pyridinyl)prop-2-enyl]-4-piperidinyl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-[(E)-3-(3-pyridyl)allyl]isonipecotoyl]phenyl]methanesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC=CC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)C/C=C/C3=CN=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-28(26,27)23-20-8-6-18(7-9-20)21(25)19-10-14-24(15-11-19)13-3-5-17-4-2-12-22-16-17/h2-9,12,16,19,23H,10-11,13-15H2,1H3/b5-3+