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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-cyclopentyl-quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-cyclopentyl-quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-cyclopentyl-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-cyclopentylquinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-cyclopentyl-cinchoninic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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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)C4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4CCCC4

InChI

InChI=1S/C21H26N2O4S/c24-21(25)18-14-20(15-7-3-4-8-15)22-19-10-9-16(13-17(18)19)28(26,27)23-11-5-1-2-6-12-23/h9-10,13-15H,1-8,11-12H2,(H,24,25)