2-[3-[4-cyclohexyl-1-(4-fluorophenyl)sulfonyl-piperidin-3-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-cyclohexyl-1-(4-fluorophenyl)sulfonyl-piperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[4-cyclohexyl-1-(4-fluorophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[4-cyclohexyl-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-[4-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-[4-cyclohexyl-1-(4-fluorophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid Formula: C25H30FNO4S MolecularWeight: 459.573403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCN(CC2C3=CC(=CC=C3)CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)C2CCN(CC2C3=CC(=CC=C3)CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FNO4S/c26-21-9-11-22(12-10-21)32(30,31)27-14-13-23(19-6-2-1-3-7-19)24(17-27)20-8-4-5-18(15-20)16-25(28)29/h4-5,8-12,15,19,23-24H,1-3,6-7,13-14,16-17H2,(H,28,29)