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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-ethyl-quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-ethyl-quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-ethyl-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-ethylquinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-ethyl-cinchoninic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=C1)C(=O)O

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=C1)C(=O)O

InChI

InChI=1S/C18H22N2O4S/c1-2-13-11-16(18(21)22)15-12-14(7-8-17(15)19-13)25(23,24)20-9-5-3-4-6-10-20/h7-8,11-12H,2-6,9-10H2,1H3,(H,21,22)