methyl 5-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenoxy]ethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(4-pyrrolidinosulfonylphenoxy)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O6S2/c1-29-22(26)20-13-15-12-16(4-9-19(15)31-20)23-21(25)14-30-17-5-7-18(8-6-17)32(27,28)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,25)