ethyl 5-chloranyl-6-[4-[(4-fluorophenyl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(4-fluorophenyl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[(4-fluorophenyl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[[(4-fluorophenyl)sulfonylamino]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(4-fluorophenyl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(4-fluorophenyl)sulfonylcarbamoyl]piperazino]nicotinic acid ethyl ester Formula: C19H20ClFN4O5S MolecularWeight: 470.902303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C19H20ClFN4O5S/c1-2-30-18(26)13-11-16(20)17(22-12-13)24-7-9-25(10-8-24)19(27)23-31(28,29)15-5-3-14(21)4-6-15/h3-6,11-12H,2,7-10H2,1H3,(H,23,27)