(2S)-4-(2,4-dinitrophenyl)-2-methyl-1-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: (2S)-4-(2,4-dinitrophenyl)-2-methyl-1-(4-methylphenyl)sulfonyl-piperazine Openeye Name: (2S)-4-(2,4-dinitrophenyl)-2-methyl-1-(p-tolylsulfonyl)piperazine CAS Name: (2S)-4-(2,4-dinitrophenyl)-2-methyl-1-(4-methylphenyl)sulfonylpiperazine IUPAC Name: (2S)-4-(2,4-dinitrophenyl)-2-methyl-1-(4-methylphenyl)sulfonylpiperazine Traditional Name: (2S)-4-(2,4-dinitrophenyl)-2-methyl-1-tosyl-piperazine Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-13-3-6-16(7-4-13)29(27,28)20-10-9-19(12-14(20)2)17-8-5-15(21(23)24)11-18(17)22(25)26/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m0/s1