4-chloranyl-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C18H21Cl2N4O4S+ MolecularWeight: 460.35474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N4O4S/c1-2-22-7-9-23(10-8-22)17-6-3-13(19)11-16(17)21-29(27,28)14-4-5-15(20)18(12-14)24(25)26/h3-6,11-12,21H,2,7-10H2,1H3/p+1