N-[4-[(7-chloranylquinolin-4-yl)amino]cyclohexyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(7-chloranylquinolin-4-yl)amino]cyclohexyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[(7-chloro-4-quinolyl)amino]cyclohexyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-[(7-chloro-4-quinolinyl)amino]cyclohexyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[(7-chloro-4-quinolyl)amino]cyclohexyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H23ClN4O4S/c1-14-2-8-18(27(28)29)13-22(14)32(30,31)26-17-6-4-16(5-7-17)25-20-10-11-24-21-12-15(23)3-9-19(20)21/h2-3,8-13,16-17,26H,4-7H2,1H3,(H,24,25)