[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C29H31F2N3O7S2 MolecularWeight: 635.699146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H31F2N3O7S2/c30-21-8-12-26(13-9-21)42(37,38)33-24-16-20(17-25(18-24)34-43(39,40)27-14-10-22(31)11-15-27)29(36)41-19-28(35)32-23-6-4-2-1-3-5-7-23/h8-18,23,33-34H,1-7,19H2,(H,32,35)