methyl 2-[(4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-phenyl)sulfonylamino]benzoate

Systemtic Name: methyl 2-[(4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-phenyl)sulfonylamino]benzoate Openeye Name: methyl 2-[[4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate CAS Name: 2-[[4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate Traditional Name: 2-[[4-(methylthio)-3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoic acid methyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O5S2/c1-27-20(24)15-7-3-4-8-17(15)21-29(25,26)14-9-10-18(28-2)16(13-14)19(23)22-11-5-6-12-22/h3-4,7-10,13,21H,5-6,11-12H2,1-2H3