4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C15H25N4O4S+ MolecularWeight: 357.4484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H24N4O4S/c1-12(2)16-24(22,23)13-5-6-14(15(11-13)19(20)21)18-8-4-7-17(3)9-10-18/h5-6,11-12,16H,4,7-10H2,1-3H3/p+1