[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H21ClFN3O6S MolecularWeight: 497.924343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(=O)NC3=CC=CC=C3F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(=O)NC3=CC=CC=C3F)Cl

InChI

InChI=1S/C21H21ClFN3O6S/c22-15-9-8-14(12-18(15)33(30,31)26-10-4-1-5-11-26)20(28)32-13-19(27)25-21(29)24-17-7-3-2-6-16(17)23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H2,24,25,27,29)