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

Systemtic Name: [3-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenyl] butane-1-sulfonate Openeye Name: [3-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophen-2-yl]phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [3-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [3-[6-hydroxy-3-[4-(2-piperidinoethoxy)phenoxy]benzothiophen-2-yl]phenyl] ester Formula: C31H35NO6S2 MolecularWeight: 581.7427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35NO6S2/c1-2-3-20-40(34,35)38-27-9-7-8-23(21-27)31-30(28-15-10-24(33)22-29(28)39-31)37-26-13-11-25(12-14-26)36-19-18-32-16-5-4-6-17-32/h7-15,21-22,33H,2-6,16-20H2,1H3