[4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenyl] ethanesulfonate

Systemtic Name: [4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenyl] ethanesulfonate Openeye Name: [4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophen-2-yl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[6-hydroxy-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[6-hydroxy-3-[4-(2-piperidinoethoxy)phenoxy]benzothiophen-2-yl]phenyl] ester Formula: C29H31NO6S2 MolecularWeight: 553.68954

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C29H31NO6S2/c1-2-38(32,33)36-25-9-6-21(7-10-25)29-28(26-15-8-22(31)20-27(26)37-29)35-24-13-11-23(12-14-24)34-19-18-30-16-4-3-5-17-30/h6-15,20,31H,2-5,16-19H2,1H3