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

Systemtic Name: 4-(1,4-diazepan-1-yl)-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1,4-diazepan-1-yl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,4-diazepan-1-yl)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,4-diazepan-1-yl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(1,4-diazepan-1-yl)-N-methyl-3-nitro-benzenesulfonamide Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O4S/c1-13-21(19,20)10-3-4-11(12(9-10)16(17)18)15-7-2-5-14-6-8-15/h3-4,9,13-14H,2,5-8H2,1H3