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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-4-methyl-1,4-diazepane Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-4-methyl-1,4-diazepane CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-methyl-1,4-diazepane IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-methyl-1,4-diazepane Traditional Name: 1-(2-chloro-5-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=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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