1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoyl]piperidine-3-carboxylic acid CAS Name: 1-[4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1,4-dioxobutyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazino]-4-keto-butanoyl]nipecotic acid Formula: C20H26FN3O6S MolecularWeight: 455.500343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H26FN3O6S/c21-16-3-5-17(6-4-16)31(29,30)24-12-10-22(11-13-24)18(25)7-8-19(26)23-9-1-2-15(14-23)20(27)28/h3-6,15H,1-2,7-14H2,(H,27,28)