[4-[6-oxidanyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1H-inden-2-yl]phenyl] methanesulfonate

Systemtic Name: [4-[6-oxidanyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1H-inden-2-yl]phenyl] methanesulfonate Openeye Name: [4-[6-hydroxy-3-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-1H-inden-2-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[6-hydroxy-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1H-inden-2-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1H-inden-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzyl]-1H-inden-2-yl]phenyl] ester Formula: C30H33NO5S MolecularWeight: 519.65172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO5S/c1-37(33,34)36-27-12-7-23(8-13-27)29-21-24-20-25(32)9-14-28(24)30(29)19-22-5-10-26(11-6-22)35-18-17-31-15-3-2-4-16-31/h5-14,20,32H,2-4,15-19,21H2,1H3