4-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-oxidanylidene-3-piperazin-1-yl-propyl)amino]oxane-4-carboxylic acid

Systemtic Name: 4-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-oxidanylidene-3-piperazin-1-yl-propyl)amino]oxane-4-carboxylic acid Openeye Name: 4-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-oxo-3-piperazin-1-yl-propyl)amino]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-(4-fluorophenyl)phenyl]sulfonyl-[3-oxo-3-(1-piperazinyl)propyl]amino]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-oxo-3-piperazin-1-ylpropyl)amino]oxane-4-carboxylic acid Traditional Name: 4-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-keto-3-piperazino-propyl)amino]tetrahydropyran-4-carboxylic acid Formula: C25H30FN3O6S MolecularWeight: 519.585603

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)N(CCC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCCC1(C(=O)O)N(CCC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O6S/c26-21-5-1-19(2-6-21)20-3-7-22(8-4-20)36(33,34)29(25(24(31)32)10-17-35-18-11-25)14-9-23(30)28-15-12-27-13-16-28/h1-8,27H,9-18H2,(H,31,32)