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

Systemtic Name: [4-[6-hexylsulfonyloxy-3-(4-piperidin-1-yloxyphenyl)carbonyl-1-benzothiophen-2-yl]phenyl] hexane-1-sulfonate Openeye Name: [4-[6-hexylsulfonyloxy-3-[4-(1-piperidyloxy)benzoyl]benzothiophen-2-yl]phenyl] hexane-1-sulfonate CAS Name: 1-hexanesulfonic acid IUPAC Name: [4-[6-hexylsulfonyloxy-3-(4-piperidin-1-yloxybenzoyl)-1-benzothiophen-2-yl]phenyl] hexane-1-sulfonate Traditional Name: hexane-1-sulfonic acid [4-[6-hexylsulfonyloxy-3-(4-piperidinooxybenzoyl)benzothiophen-2-yl]phenyl] ester Formula: C38H47NO8S3 MolecularWeight: 741.97668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCCCC)C(=O)C4=CC=C(C=C4)ON5CCCCC5

Isomeric SMILES

CCCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCCCC)C(=O)C4=CC=C(C=C4)ON5CCCCC5

InChI

InChI=1S/C38H47NO8S3/c1-3-5-7-12-26-49(41,42)46-32-20-16-30(17-21-32)38-36(37(40)29-14-18-31(19-15-29)45-39-24-10-9-11-25-39)34-23-22-33(28-35(34)48-38)47-50(43,44)27-13-8-6-4-2/h14-23,28H,3-13,24-27H2,1-2H3