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

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-methyl-1,4-diazepane Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-methyl-1,4-diazepane CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-methyl-1,4-diazepane IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-methyl-1,4-diazepane Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-methyl-1,4-diazepane Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H16ClN3O4S/c1-14-5-2-6-15(8-7-14)21(19,20)10-3-4-11(13)12(9-10)16(17)18/h3-4,9H,2,5-8H2,1H3