methyl 5-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-(4-piperidinosulfonylphenyl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H26N2O5S2/c1-31-24(28)22-16-18-15-19(8-11-21(18)32-22)25-23(27)12-7-17-5-9-20(10-6-17)33(29,30)26-13-3-2-4-14-26/h5-6,8-11,15-16H,2-4,7,12-14H2,1H3,(H,25,27)