methyl 2-(4-butylsulfonyloxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-(4-butylsulfonyloxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(4-butylsulfonyloxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophene-6-carboxylate CAS Name: 2-(4-butylsulfonyloxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-butylsulfonyloxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxylate Traditional Name: 2-(4-butylsulfonyloxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophene-6-carboxylic acid methyl ester Formula: C34H37NO7S2 MolecularWeight: 635.79008

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

InChI

InChI=1S/C34H37NO7S2/c1-3-4-22-44(38,39)42-28-15-10-25(11-16-28)33-31(29-17-12-26(34(37)40-2)23-30(29)43-33)32(36)24-8-13-27(14-9-24)41-21-20-35-18-6-5-7-19-35/h8-17,23H,3-7,18-22H2,1-2H3