1-[3-[(Z)-N-[(4-fluorophenyl)amino]-C-methyl-carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[3-[(Z)-N-[(4-fluorophenyl)amino]-C-methyl-carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-[3-[(Z)-N-(4-fluoroanilino)-C-methyl-carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[(1Z)-1-[(4-fluorophenyl)hydrazinylidene]ethyl]phenyl]sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-[3-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[(Z)-N-(4-fluoroanilino)-C-methyl-carbonimidoyl]phenyl]sulfonylisonipecotate Formula: C20H21FN3O4S- MolecularWeight: 418.461843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC=C(C=C1)F)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC1=CC=C(C=C1)F)/C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C20H22FN3O4S/c1-14(22-23-18-7-5-17(21)6-8-18)16-3-2-4-19(13-16)29(27,28)24-11-9-15(10-12-24)20(25)26/h2-8,13,15,23H,9-12H2,1H3,(H,25,26)/p-1/b22-14-