[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C23H22Cl2N2O4S MolecularWeight: 493.40278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl)Cl

InChI

InChI=1S/C23H22Cl2N2O4S/c1-15-6-11-18-19(24)14-20(25)22(21(18)26-15)31-23(28)16-7-9-17(10-8-16)32(29,30)27-12-4-2-3-5-13-27/h6-11,14H,2-5,12-13H2,1H3