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

Systemtic Name: [4-[6-(hexylsulfonylmethyl)-3-(4-piperidin-1-yloxyphenyl)carbonyl-1-benzothiophen-2-yl]phenyl] hexane-1-sulfonate Openeye Name: [4-[6-(hexylsulfonylmethyl)-3-[4-(1-piperidyloxy)benzoyl]benzothiophen-2-yl]phenyl] hexane-1-sulfonate CAS Name: 1-hexanesulfonic acid IUPAC Name: [4-[6-(hexylsulfonylmethyl)-3-(4-piperidin-1-yloxybenzoyl)-1-benzothiophen-2-yl]phenyl] hexane-1-sulfonate Traditional Name: hexane-1-sulfonic acid [4-[6-(hexylsulfonylmethyl)-3-(4-piperidinooxybenzoyl)benzothiophen-2-yl]phenyl] ester Formula: C39H49NO7S3 MolecularWeight: 740.00386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OS(=O)(=O)CCCCCC)C(=O)C4=CC=C(C=C4)ON5CCCCC5

Isomeric SMILES

CCCCCCS(=O)(=O)CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OS(=O)(=O)CCCCCC)C(=O)C4=CC=C(C=C4)ON5CCCCC5

InChI

InChI=1S/C39H49NO7S3/c1-3-5-7-12-26-49(42,43)29-30-14-23-35-36(28-30)48-39(32-17-21-34(22-18-32)47-50(44,45)27-13-8-6-4-2)37(35)38(41)31-15-19-33(20-16-31)46-40-24-10-9-11-25-40/h14-23,28H,3-13,24-27,29H2,1-2H3