1-[(3,5-dimethylphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3,5-dimethylbenzyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C20H25N3O4S MolecularWeight: 403.4952

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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=CC(=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-15-10-16(2)12-18(11-15)14-21-6-8-22(9-7-21)28(26,27)20-13-19(23(24)25)5-4-17(20)3/h4-5,10-13H,6-9,14H2,1-3H3