1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-tosyl-1,4-diazepane Formula: C19H22ClN3O6S2 MolecularWeight: 487.97748

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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-])C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O6S2/c1-14-4-6-16(7-5-14)30(26,27)21-8-3-9-22(11-10-21)31(28,29)17-12-18(20)15(2)19(13-17)23(24)25/h4-7,12-13H,3,8-11H2,1-2H3