[2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3H-inden-5-yl] methanesulfonate

Systemtic Name: [2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3H-inden-5-yl] methanesulfonate Openeye Name: [2-phenyl-1-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-3H-inden-5-yl] methanesulfonate CAS Name: methanesulfonic acid [2-phenyl-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-3H-inden-5-yl] ester IUPAC Name: [2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3H-inden-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-phenyl-1-[4-(2-piperidinoethoxy)benzyl]-3H-inden-5-yl] ester Formula: C30H33NO4S MolecularWeight: 503.65232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C2)C3=CC=CC=C3)CC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C2)C3=CC=CC=C3)CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C30H33NO4S/c1-36(32,33)35-27-14-15-28-25(21-27)22-29(24-8-4-2-5-9-24)30(28)20-23-10-12-26(13-11-23)34-19-18-31-16-6-3-7-17-31/h2,4-5,8-15,21H,3,6-7,16-20,22H2,1H3