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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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