[8-fluoranyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]thiochromen-2-yl] methanesulfonate

Systemtic Name: [8-fluoranyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]thiochromen-2-yl] methanesulfonate Openeye Name: [8-fluoro-5-[4-[2-(1-piperidyl)ethoxy]phenyl]-5H-naphtho[1,2-c]thiochromen-2-yl] methanesulfonate CAS Name: methanesulfonic acid [8-fluoro-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-5H-naphtho[1,2-c]thiochromen-2-yl] ester IUPAC Name: [8-fluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]thiochromen-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [8-fluoro-5-[4-(2-piperidinoethoxy)phenyl]-5H-naphtho[1,2-c]thiochromen-2-yl] ester Formula: C31H30FNO4S2 MolecularWeight: 563.702603

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(C=C1)C3=C(C=C2)C4=C(C=C(C=C4)F)SC3C5=CC=C(C=C5)OCCN6CCCCC6

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(C=C1)C3=C(C=C2)C4=C(C=C(C=C4)F)SC3C5=CC=C(C=C5)OCCN6CCCCC6

InChI

InChI=1S/C31H30FNO4S2/c1-39(34,35)37-25-11-14-26-22(19-25)7-12-28-27-13-8-23(32)20-29(27)38-31(30(26)28)21-5-9-24(10-6-21)36-18-17-33-15-3-2-4-16-33/h5-14,19-20,31H,2-4,15-18H2,1H3