1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-benzylsulfonyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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