1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1,4-dioxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazino]-4-keto-butanoyl]isonipecotic acid Formula: C20H26FN3O6S MolecularWeight: 455.500343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H26FN3O6S/c21-16-1-3-17(4-2-16)31(29,30)24-13-11-23(12-14-24)19(26)6-5-18(25)22-9-7-15(8-10-22)20(27)28/h1-4,15H,5-14H2,(H,27,28)