ethyl 6-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(2,6-difluorophenyl)sulfonylpiperazino]nicotinic acid ethyl ester Formula: C18H19F2N3O4S MolecularWeight: 411.422966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H19F2N3O4S/c1-2-27-18(24)13-6-7-16(21-12-13)22-8-10-23(11-9-22)28(25,26)17-14(19)4-3-5-15(17)20/h3-7,12H,2,8-11H2,1H3