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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-cyclohexyl-quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-cyclohexyl-quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-cyclohexyl-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-cyclohexylquinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-cyclohexyl-cinchoninic acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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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)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4CCCCC4

InChI

InChI=1S/C22H28N2O4S/c25-22(26)19-15-21(16-8-4-3-5-9-16)23-20-11-10-17(14-18(19)20)29(27,28)24-12-6-1-2-7-13-24/h10-11,14-16H,1-9,12-13H2,(H,25,26)