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

Systemtic Name: 1-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-oxidanylidene-3-piperazin-1-yl-propyl)amino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-oxo-3-piperazin-1-yl-propyl)amino]cyclopentanecarboxylic acid CAS Name: 1-[[4-(4-fluorophenyl)phenyl]sulfonyl-[3-oxo-3-(1-piperazinyl)propyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-oxo-3-piperazin-1-ylpropyl)amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-keto-3-piperazino-propyl)amino]cyclopentanecarboxylic acid Formula: C25H30FN3O5S MolecularWeight: 503.586203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)N(CCC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)(C(=O)O)N(CCC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O5S/c26-21-7-3-19(4-8-21)20-5-9-22(10-6-20)35(33,34)29(25(24(31)32)12-1-2-13-25)16-11-23(30)28-17-14-27-15-18-28/h3-10,27H,1-2,11-18H2,(H,31,32)