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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-pyridin-4-yl-quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(4-pyridyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-pyridin-4-yl-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-pyridin-4-ylquinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(4-pyridyl)cinchoninic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c25-21(26)18-14-20(15-7-9-22-10-8-15)23-19-6-5-16(13-17(18)19)29(27,28)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2,(H,25,26)