[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C22H24FN3O7S MolecularWeight: 493.505263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O7S/c1-2-32-22(29)24-20(27)15-33-21(28)16-4-3-5-19(14-16)34(30,31)26-12-10-25(11-13-26)18-8-6-17(23)7-9-18/h3-9,14H,2,10-13,15H2,1H3,(H,24,27,29)