1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methylsulfonyl]piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methylsulfonyl]piperazine Openeye Name: 1-[(3-nitrophenyl)methylsulfonyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methylsulfonyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methylsulfonyl]piperazine Traditional Name: 1-(3-nitrobenzyl)sulfonyl-4-tosyl-piperazine Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S2/c1-15-5-7-18(8-6-15)29(26,27)20-11-9-19(10-12-20)28(24,25)14-16-3-2-4-17(13-16)21(22)23/h2-8,13H,9-12,14H2,1H3