[6,6-bis(fluoranyl)-5-methyl-hex-5-enyl] 1-methyl-4-[(4-methylphenyl)sulfonylamino]-2H-pyridine-3-carboxylate

Systemtic Name: [6,6-bis(fluoranyl)-5-methyl-hex-5-enyl] 1-methyl-4-[(4-methylphenyl)sulfonylamino]-2H-pyridine-3-carboxylate Openeye Name: (6,6-difluoro-5-methyl-hex-5-enyl) 1-methyl-4-(p-tolylsulfonylamino)-2H-pyridine-3-carboxylate CAS Name: 1-methyl-4-[(4-methylphenyl)sulfonylamino]-2H-pyridine-3-carboxylic acid (6,6-difluoro-5-methylhex-5-enyl) ester IUPAC Name: (6,6-difluoro-5-methylhex-5-enyl) 1-methyl-4-[(4-methylphenyl)sulfonylamino]-2H-pyridine-3-carboxylate Traditional Name: 1-methyl-4-(tosylamino)-2H-pyridine-3-carboxylic acid (6,6-difluoro-5-methyl-hex-5-enyl) ester Formula: C21H26F2N2O4S MolecularWeight: 440.503946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(CN(C=C2)C)C(=O)OCCCCC(=C(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(CN(C=C2)C)C(=O)OCCCCC(=C(F)F)C

InChI

InChI=1S/C21H26F2N2O4S/c1-15-7-9-17(10-8-15)30(27,28)24-19-11-12-25(3)14-18(19)21(26)29-13-5-4-6-16(2)20(22)23/h7-12,24H,4-6,13-14H2,1-3H3