1-[5,5-bis(4-fluorophenyl)-2-piperidin-1-yl-pent-4-enoyl]pyrrolidine-3-sulfonic acid; methane

Systemtic Name: 1-[5,5-bis(4-fluorophenyl)-2-piperidin-1-yl-pent-4-enoyl]pyrrolidine-3-sulfonic acid; methane Openeye Name: 1-[5,5-bis(4-fluorophenyl)-2-(1-piperidyl)pent-4-enoyl]pyrrolidine-3-sulfonic acid; methane CAS Name: 1-[5,5-bis(4-fluorophenyl)-1-oxo-2-(1-piperidinyl)pent-4-enyl]-3-pyrrolidinesulfonic acid; methane IUPAC Name: 1-[5,5-bis(4-fluorophenyl)-2-piperidin-1-ylpent-4-enoyl]pyrrolidine-3-sulfonic acid; methane Traditional Name: 1-[5,5-bis(4-fluorophenyl)-2-piperidino-pent-4-enoyl]pyrrolidine-3-sulfonic acid; methane Formula: C27H34F2N2O4S MolecularWeight: 520.631666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.C1CCN(CC1)C(CC=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N4CCC(C4)S(=O)(=O)O

Isomeric SMILES

C.C1CCN(CC1)C(CC=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N4CCC(C4)S(=O)(=O)O

InChI

InChI=1S/C26H30F2N2O4S.CH4/c27-21-8-4-19(5-9-21)24(20-6-10-22(28)11-7-20)12-13-25(29-15-2-1-3-16-29)26(31)30-17-14-23(18-30)35(32,33)34;/h4-12,23,25H,1-3,13-18H2,(H,32,33,34);1H4