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

Systemtic Name: 2-[4-(4-fluorophenyl)phenyl]sulfonyl-1-[(3-oxidanylidene-3-piperazin-1-yl-propyl)amino]cyclopentane-1-carboxylic acid Openeye Name: 2-[4-(4-fluorophenyl)phenyl]sulfonyl-1-[(3-oxo-3-piperazin-1-yl-propyl)amino]cyclopentanecarboxylic acid CAS Name: 2-[4-(4-fluorophenyl)phenyl]sulfonyl-1-[[3-oxo-3-(1-piperazinyl)propyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-(4-fluorophenyl)phenyl]sulfonyl-1-[(3-oxo-3-piperazin-1-ylpropyl)amino]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-(4-fluorophenyl)phenyl]sulfonyl-1-[(3-keto-3-piperazino-propyl)amino]cyclopentanecarboxylic acid Formula: C25H30FN3O5S MolecularWeight: 503.586203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)(C(=O)O)NCCC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC(C(C1)(C(=O)O)NCCC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

InChI

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