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

Systemtic Name: [4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-6-propylsulfonyloxy-1-benzothiophen-2-yl]phenyl] propane-1-sulfonate Openeye Name: [4-[3-[4-[2-(1-piperidyl)ethoxy]benzoyl]-6-propylsulfonyloxy-benzothiophen-2-yl]phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-[3-[4-(2-piperidin-1-ylethoxy)benzoyl]-6-propylsulfonyloxy-1-benzothiophen-2-yl]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-[3-[4-(2-piperidinoethoxy)benzoyl]-6-propylsulfonyloxy-benzothiophen-2-yl]phenyl] ester Formula: C34H39NO8S3 MolecularWeight: 685.87036

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C34H39NO8S3/c1-3-22-45(37,38)42-28-14-10-26(11-15-28)34-32(30-17-16-29(24-31(30)44-34)43-46(39,40)23-4-2)33(36)25-8-12-27(13-9-25)41-21-20-35-18-6-5-7-19-35/h8-17,24H,3-7,18-23H2,1-2H3