1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(4-nitrophenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-nosyl-4-tosyl-1,4-diazepane Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S2/c1-15-3-7-17(8-4-15)28(24,25)19-11-2-12-20(14-13-19)29(26,27)18-9-5-16(6-10-18)21(22)23/h3-10H,2,11-14H2,1H3