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

Systemtic Name: [4-[6-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] butane-1-sulfonate Openeye Name: [4-[6-methyl-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[6-methyl-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[6-methyl-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C33H37NO5S2 MolecularWeight: 591.78058

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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(=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(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C33H37NO5S2/c1-3-4-22-41(36,37)39-28-15-11-26(12-16-28)33-31(29-17-8-24(2)23-30(29)40-33)32(35)25-9-13-27(14-10-25)38-21-20-34-18-6-5-7-19-34/h8-17,23H,3-7,18-22H2,1-2H3