(3,4-dichlorophenyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3,4-dichlorophenyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,4-dichlorophenyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (3,4-dichlorophenyl) ester IUPAC Name: (3,4-dichlorophenyl) 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid (3,4-dichlorophenyl) ester Formula: C19H18Cl2N2O6S MolecularWeight: 473.32702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O6S/c1-12-2-3-14(23(25)26)10-18(12)30(27,28)22-8-6-13(7-9-22)19(24)29-15-4-5-16(20)17(21)11-15/h2-5,10-11,13H,6-9H2,1H3