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

Systemtic Name: 2-(1-benzothiophen-2-yl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-6-piperidinosulfonyl-cinchoninic acid Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N2O4S2/c26-23(27)18-14-20(22-12-15-6-2-3-7-21(15)30-22)24-19-9-8-16(13-17(18)19)31(28,29)25-10-4-1-5-11-25/h2-3,6-9,12-14H,1,4-5,10-11H2,(H,26,27)