1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-indan-5-ylsulfonyl-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-indan-5-ylsulfonyl-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S2/c1-15-5-7-19(14-20(15)23(24)25)31(28,29)22-11-9-21(10-12-22)30(26,27)18-8-6-16-3-2-4-17(16)13-18/h5-8,13-14H,2-4,9-12H2,1H3