1-(2-methyl-3-nitro-phenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-(2-methyl-3-nitro-phenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-(2-methyl-3-nitrophenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-(2-methyl-3-nitrophenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-(2-methyl-3-nitro-phenyl)sulfonyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane Formula: C20H22F3N3O4S MolecularWeight: 457.46659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22F3N3O4S/c1-15-18(26(27)28)4-2-5-19(15)31(29,30)25-11-3-10-24(12-13-25)14-16-6-8-17(9-7-16)20(21,22)23/h2,4-9H,3,10-14H2,1H3