1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-benzylsulfonyl-4-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S2/c1-15-12-18(22(23)24)13-19(16(15)2)30(27,28)21-10-8-20(9-11-21)29(25,26)14-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3