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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-cyclopropyl-quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-cyclopropyl-quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-cyclopropyl-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-cyclopropylquinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-cyclopropyl-cinchoninic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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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)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4CC4

InChI

InChI=1S/C19H22N2O4S/c22-19(23)16-12-18(13-5-6-13)20-17-8-7-14(11-15(16)17)26(24,25)21-9-3-1-2-4-10-21/h7-8,11-13H,1-6,9-10H2,(H,22,23)