4-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzenesulfonamide

Systemtic Name: 4-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzenesulfonamide Openeye Name: 4-methyl-3-[(5-nitro-2-furyl)methylamino]benzenesulfonamide CAS Name: 4-methyl-3-[(5-nitro-2-furanyl)methylamino]benzenesulfonamide IUPAC Name: 4-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzenesulfonamide Traditional Name: 4-methyl-3-[(5-nitro-2-furyl)methylamino]benzenesulfonamide Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)NCC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)NCC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-8-2-4-10(21(13,18)19)6-11(8)14-7-9-3-5-12(20-9)15(16)17/h2-6,14H,7H2,1H3,(H2,13,18,19)