1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-methyl-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-methyl-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine Formula: C20H23N3O8S2 MolecularWeight: 497.54192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O8S2/c1-15-17(23(24)25)4-2-5-20(15)33(28,29)22-10-8-21(9-11-22)32(26,27)16-6-7-18-19(14-16)31-13-3-12-30-18/h2,4-7,14H,3,8-13H2,1H3