N-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-benzenesulfonamide Formula: C13H20N4O4S MolecularWeight: 328.3873

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O4S/c1-14-22(20,21)11-4-5-12(13(10-11)17(18)19)16-7-3-6-15(2)8-9-16/h4-5,10,14H,3,6-9H2,1-2H3