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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCNCC2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C12H17N3O4S/c1-10-3-4-11(15(16)17)9-12(10)20(18,19)14-7-2-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3