2-azanyl-3-[4-(4-fluorophenyl)phenyl]sulfonyl-2-(3-oxidanylidene-3-piperazin-1-yl-propyl)oxane-4-carboxylic acid

Systemtic Name: 2-azanyl-3-[4-(4-fluorophenyl)phenyl]sulfonyl-2-(3-oxidanylidene-3-piperazin-1-yl-propyl)oxane-4-carboxylic acid Openeye Name: 2-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-2-(3-oxo-3-piperazin-1-yl-propyl)tetrahydropyran-4-carboxylic acid CAS Name: 2-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-2-[3-oxo-3-(1-piperazinyl)propyl]-4-oxanecarboxylic acid IUPAC Name: 2-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-2-(3-oxo-3-piperazin-1-ylpropyl)oxane-4-carboxylic acid Traditional Name: 2-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-2-(3-keto-3-piperazino-propyl)tetrahydropyran-4-carboxylic acid Formula: C25H30FN3O6S MolecularWeight: 519.585603

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)(CCC(=O)N4CCNCC4)N

Isomeric SMILES

C1COC(C(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)(CCC(=O)N4CCNCC4)N

InChI

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