1-(4-methylphenyl)sulfonyl-4-(2-nitrophenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(2-nitrophenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(2-nitrophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(2-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-nitrophenyl)sulfonyl-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S2/c1-15-7-9-16(10-8-15)28(24,25)19-11-4-12-20(14-13-19)29(26,27)18-6-3-2-5-17(18)21(22)23/h2-3,5-10H,4,11-14H2,1H3