4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C14H23N4O4S+ MolecularWeight: 343.42182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O4S/c1-11(2)15-23(21,22)12-4-5-13(14(10-12)18(19)20)17-8-6-16(3)7-9-17/h4-5,10-11,15H,6-9H2,1-3H3/p+1