6-(azepan-1-ylsulfonyl)-2-(3-chlorophenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(3-chlorophenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(3-chlorophenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(3-chlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(3-chlorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(3-chlorophenyl)cinchoninic acid Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4S/c23-16-7-5-6-15(12-16)21-14-19(22(26)27)18-13-17(8-9-20(18)24-21)30(28,29)25-10-3-1-2-4-11-25/h5-9,12-14H,1-4,10-11H2,(H,26,27)