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

Systemtic Name: 2-(1-benzothiophen-2-yl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-6-morpholinosulfonyl-cinchoninic acid Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C22H18N2O5S2/c25-22(26)17-13-19(21-11-14-3-1-2-4-20(14)30-21)23-18-6-5-15(12-16(17)18)31(27,28)24-7-9-29-10-8-24/h1-6,11-13H,7-10H2,(H,25,26)