methyl 2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-pyrrolidinosulfonylphenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O5S2/c1-27-20(24)17-6-2-3-7-18(17)21-19(23)14-28-15-8-10-16(11-9-15)29(25,26)22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,23)