2-[(4-bromanyl-3-methyl-phenyl)amino]-5-nitro-benzenesulfonamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)amino]-5-nitro-benzenesulfonamide Openeye Name: 2-(4-bromo-3-methyl-anilino)-5-nitro-benzenesulfonamide CAS Name: 2-(4-bromo-3-methylanilino)-5-nitrobenzenesulfonamide IUPAC Name: 2-(4-bromo-3-methylanilino)-5-nitrobenzenesulfonamide Traditional Name: 2-(4-bromo-3-methyl-anilino)-5-nitro-benzenesulfonamide Formula: C13H12BrN3O4S MolecularWeight: 386.22108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N)Br

InChI

InChI=1S/C13H12BrN3O4S/c1-8-6-9(2-4-11(8)14)16-12-5-3-10(17(18)19)7-13(12)22(15,20)21/h2-7,16H,1H3,(H2,15,20,21)