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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-15-4-5-17(23(24)25)13-20(15)30(26,27)22-10-8-21(9-11-22)14-16-12-18(28-2)6-7-19(16)29-3/h4-7,12-13H,8-11,14H2,1-3H3