1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-nitro-phenyl)methyl]piperazine

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-nitro-phenyl)methyl]piperazine Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-nitro-phenyl)methyl]piperazine CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-nitrophenyl)methyl]piperazine IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-nitrophenyl)methyl]piperazine Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methoxy-5-nitro-benzyl)piperazine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O5S/c1-15-4-5-16(2)20(12-15)29(26,27)22-10-8-21(9-11-22)14-17-13-18(23(24)25)6-7-19(17)28-3/h4-7,12-13H,8-11,14H2,1-3H3