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

Systemtic Name: [4-[6-ethylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenyl] ethanesulfonate Openeye Name: [4-[6-ethylsulfonyloxy-3-[4-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophen-2-yl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[6-ethylsulfonyloxy-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-ethylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[6-esyloxy-3-[4-(2-piperidinoethoxy)phenoxy]benzothiophen-2-yl]phenyl] ester Formula: C31H35NO8S3 MolecularWeight: 645.8065

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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)OS(=O)(=O)CC)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)OS(=O)(=O)CC)OC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C31H35NO8S3/c1-3-42(33,34)39-26-10-8-23(9-11-26)31-30(28-17-16-27(22-29(28)41-31)40-43(35,36)4-2)38-25-14-12-24(13-15-25)37-21-20-32-18-6-5-7-19-32/h8-17,22H,3-7,18-21H2,1-2H3