2-(5-methylthiophen-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-methylthiophen-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-methyl-2-thienyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(5-methyl-2-thiophenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-methylthiophen-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5-methyl-2-thienyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C19H18N2O4S2/c1-12-4-7-18(26-12)17-11-15(19(22)23)14-10-13(5-6-16(14)20-17)27(24,25)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,22,23)