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

Systemtic Name: [4-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] butane-1-sulfonate Openeye Name: [4-[6-ethynyl-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[6-ethynyl-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C34H35NO5S2 MolecularWeight: 601.7754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C34H35NO5S2/c1-3-5-23-42(37,38)40-29-16-12-27(13-17-29)34-32(30-18-9-25(4-2)24-31(30)41-34)33(36)26-10-14-28(15-11-26)39-22-21-35-19-7-6-8-20-35/h2,9-18,24H,3,5-8,19-23H2,1H3