methyl 4-methyl-2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4)C(=O)OC

InChI

InChI=1S/C23H25N3O6S/c1-15-17-8-4-5-9-18(17)24-19(21(15)23(28)31-3)14-32-22(27)20-12-16(13-25(20)2)33(29,30)26-10-6-7-11-26/h4-5,8-9,12-13H,6-7,10-11,14H2,1-3H3