6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-pyrrolidin-1-ylsulfonyl-2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: 6-(1-pyrrolidinylsulfonyl)-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: 6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: 6-pyrrolidinosulfonyl-2-(2-thienyl)cinchoninic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CS4

InChI

InChI=1S/C18H16N2O4S2/c21-18(22)14-11-16(17-4-3-9-25-17)19-15-6-5-12(10-13(14)15)26(23,24)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8H2,(H,21,22)