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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-phenyl-cinchoninic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/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/h3-5,8-11,14-15H,1-2,6-7,12-13H2,(H,25,26)