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

Systemtic Name: propan-2-yl 2-(4-butylsulfonyloxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C36H41NO7S2 MolecularWeight: 663.84324

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

InChI

InChI=1S/C36H41NO7S2/c1-4-5-23-46(40,41)44-30-16-11-27(12-17-30)35-33(31-18-13-28(24-32(31)45-35)36(39)43-25(2)3)34(38)26-9-14-29(15-10-26)42-22-21-37-19-7-6-8-20-37/h9-18,24-25H,4-8,19-23H2,1-3H3