4-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C17H20ClN4O4S+ MolecularWeight: 411.8831

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN4O4S/c1-20-8-10-21(11-9-20)14-4-2-13(3-5-14)19-27(25,26)15-6-7-16(18)17(12-15)22(23)24/h2-7,12,19H,8-11H2,1H3/p+1