2-[[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]amino]ethanoic acid Openeye Name: 2-[[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoyl]amino]acetic acid CAS Name: 2-[[4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1,4-dioxobutyl]amino]acetic acid IUPAC Name: 2-[[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoyl]amino]acetic acid Traditional Name: 2-[[4-[4-(4-fluorophenyl)sulfonylpiperazino]-4-keto-butanoyl]amino]acetic acid Formula: C16H20FN3O6S MolecularWeight: 401.409903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)NCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)NCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H20FN3O6S/c17-12-1-3-13(4-2-12)27(25,26)20-9-7-19(8-10-20)15(22)6-5-14(21)18-11-16(23)24/h1-4H,5-11H2,(H,18,21)(H,23,24)