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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCCC5

InChI

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