methyl 2-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(4-methoxyphenyl)sulfonylprolyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C22H22N2O6S2/c1-29-14-9-11-15(12-10-14)32(27,28)24-13-5-7-17(24)20(25)23-21-19(22(26)30-2)16-6-3-4-8-18(16)31-21/h3-4,6,8-12,17H,5,7,13H2,1-2H3,(H,23,25)