[4-[6-pentylsulfonyloxy-3-(4-piperidin-1-yloxyphenyl)carbonyl-1-benzothiophen-2-yl]phenyl] pentane-1-sulfonate

Systemtic Name: [4-[6-pentylsulfonyloxy-3-(4-piperidin-1-yloxyphenyl)carbonyl-1-benzothiophen-2-yl]phenyl] pentane-1-sulfonate Openeye Name: [4-[6-pentylsulfonyloxy-3-[4-(1-piperidyloxy)benzoyl]benzothiophen-2-yl]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [4-[6-pentylsulfonyloxy-3-(4-piperidin-1-yloxybenzoyl)-1-benzothiophen-2-yl]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [4-[6-amylsulfonyloxy-3-(4-piperidinooxybenzoyl)benzothiophen-2-yl]phenyl] ester Formula: C36H43NO8S3 MolecularWeight: 713.92352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCCC)C(=O)C4=CC=C(C=C4)ON5CCCCC5

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCCC)C(=O)C4=CC=C(C=C4)ON5CCCCC5

InChI

InChI=1S/C36H43NO8S3/c1-3-5-10-24-47(39,40)44-30-18-14-28(15-19-30)36-34(35(38)27-12-16-29(17-13-27)43-37-22-8-7-9-23-37)32-21-20-31(26-33(32)46-36)45-48(41,42)25-11-6-4-2/h12-21,26H,3-11,22-25H2,1-2H3