N3-(4-methylsulfonyl-2-nitro-phenyl)benzene-1,3-diamine

Systemtic Name: N3-(4-methylsulfonyl-2-nitro-phenyl)benzene-1,3-diamine Openeye Name: N3-(4-methylsulfonyl-2-nitro-phenyl)benzene-1,3-diamine CAS Name: N3-(4-methylsulfonyl-2-nitrophenyl)benzene-1,3-diamine IUPAC Name: 3-N-(4-methylsulfonyl-2-nitrophenyl)benzene-1,3-diamine Traditional Name: (3-aminophenyl)-(4-mesyl-2-nitro-phenyl)amine Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-21(19,20)11-5-6-12(13(8-11)16(17)18)15-10-4-2-3-9(14)7-10/h2-8,15H,14H2,1H3