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

Systemtic Name: 2-(1-benzothiophen-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C22H18N2O4S2/c25-22(26)17-13-19(21-11-14-5-1-2-6-20(14)29-21)23-18-8-7-15(12-16(17)18)30(27,28)24-9-3-4-10-24/h1-2,5-8,11-13H,3-4,9-10H2,(H,25,26)