methyl 4-[2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H25N3O5S2/c1-16-13-23(33-15-22(28)25-18-7-5-17(6-8-18)24(29)32-2)26-21-10-9-19(14-20(16)21)34(30,31)27-11-3-4-12-27/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,25,28)