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

Systemtic Name: [2-(3-butylsulfonyloxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] butane-1-sulfonate Openeye Name: [2-(3-butylsulfonyloxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-(3-butylsulfonyloxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-(3-butylsulfonyloxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl] ester Formula: C36H43NO8S3 MolecularWeight: 713.92352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC(=CC=C3)OS(=O)(=O)CCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC(=CC=C3)OS(=O)(=O)CCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C36H43NO8S3/c1-3-5-23-47(39,40)44-30-12-10-11-28(25-30)36-34(32-18-17-31(26-33(32)46-36)45-48(41,42)24-6-4-2)35(38)27-13-15-29(16-14-27)43-22-21-37-19-8-7-9-20-37/h10-18,25-26H,3-9,19-24H2,1-2H3