1-(2-methyl-6-nitro-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(2-methyl-6-nitro-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2-methyl-6-nitro-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2-methyl-6-nitrophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2-methyl-6-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-methyl-6-nitro-phenyl)sulfonyl-1,4-diazepane Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c1-10-4-2-5-11(15(16)17)12(10)20(18,19)14-8-3-6-13-7-9-14/h2,4-5,13H,3,6-9H2,1H3