3-(3-octylphenyl)-5-(phenylmethyl)sulfonyl-1-propyl-pyridin-4-one

Systemtic Name: 3-(3-octylphenyl)-5-(phenylmethyl)sulfonyl-1-propyl-pyridin-4-one Openeye Name: 3-benzylsulfonyl-5-(3-octylphenyl)-1-propyl-pyridin-4-one CAS Name: 3-(3-octylphenyl)-5-(phenylmethyl)sulfonyl-1-propyl-4-pyridinone IUPAC Name: 3-benzylsulfonyl-5-(3-octylphenyl)-1-propylpyridin-4-one Traditional Name: 3-benzylsulfonyl-5-(3-octylphenyl)-1-propyl-4-pyridone Formula: C29H37NO3S MolecularWeight: 479.67398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC(=C1)C2=CN(C=C(C2=O)S(=O)(=O)CC3=CC=CC=C3)CCC

Isomeric SMILES

CCCCCCCCC1=CC=CC(=C1)C2=CN(C=C(C2=O)S(=O)(=O)CC3=CC=CC=C3)CCC

InChI

InChI=1S/C29H37NO3S/c1-3-5-6-7-8-10-14-24-17-13-18-26(20-24)27-21-30(19-4-2)22-28(29(27)31)34(32,33)23-25-15-11-9-12-16-25/h9,11-13,15-18,20-22H,3-8,10,14,19,23H2,1-2H3