1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-tosyl-1,4-diazepane Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O6S2/c1-15-4-8-18(9-5-15)29(25,26)20-10-3-11-21(13-12-20)30(27,28)19-14-17(22(23)24)7-6-16(19)2/h4-9,14H,3,10-13H2,1-2H3