2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-isopropylphenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(4-propan-2-ylphenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-p-cumenyl-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-15(2)16-5-7-17(8-6-16)22-14-20(23(26)27)19-13-18(9-10-21(19)24-22)30(28,29)25-11-3-4-12-25/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,26,27)