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

Systemtic Name: methyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(1-tosylprolyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H22N2O5S2/c1-14-9-11-15(12-10-14)31(27,28)24-13-5-7-17(24)21(25)23-19-16-6-3-4-8-18(16)30-20(19)22(26)29-2/h3-4,6,8-12,17H,5,7,13H2,1-2H3,(H,23,25)