methyl 2-methyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]quinoline-6-carboxylate

Systemtic Name: methyl 2-methyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]quinoline-6-carboxylate Openeye Name: methyl 2-methyl-4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]quinoline-6-carboxylate CAS Name: 2-methyl-4-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-6-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]quinoline-6-carboxylate Traditional Name: 2-methyl-4-[(4-pyrrolidinosulfonylbenzoyl)amino]quinoline-6-carboxylic acid methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC)C(=C1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC)C(=C1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H23N3O5S/c1-15-13-21(19-14-17(23(28)31-2)7-10-20(19)24-15)25-22(27)16-5-8-18(9-6-16)32(29,30)26-11-3-4-12-26/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,25,27)