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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(1-benzothiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(benzothiophen-2-yl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(1-benzothiophen-2-yl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(1-benzothiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(benzothiophen-2-yl)cinchoninic acid Formula: C24H22N2O4S2 MolecularWeight: 466.57248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N2O4S2/c27-24(28)19-15-21(23-13-16-7-3-4-8-22(16)31-23)25-20-10-9-17(14-18(19)20)32(29,30)26-11-5-1-2-6-12-26/h3-4,7-10,13-15H,1-2,5-6,11-12H2,(H,27,28)