1-(2-chloranyl-6-nitro-phenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-(2-chloranyl-6-nitro-phenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Openeye Name: 1-(2-chloro-6-nitro-phenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine CAS Name: 1-(2-chloro-6-nitrophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(2-chloro-6-nitrophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(2-chloro-6-nitro-phenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Formula: C18H20ClN3O6S MolecularWeight: 441.8859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20ClN3O6S/c1-27-16-7-6-13(12-17(16)28-2)29(25,26)21-10-8-20(9-11-21)18-14(19)4-3-5-15(18)22(23)24/h3-7,12H,8-11H2,1-2H3