4-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-nitrophenyl)benzamide

Systemtic Name: 4-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-nitrophenyl)benzamide Openeye Name: 4-chloro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-nitrophenyl)benzamide CAS Name: 4-chloro-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(2-nitrophenyl)benzamide IUPAC Name: 4-chloro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-nitrophenyl)benzamide Traditional Name: 4-chloro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-nitrophenyl)benzamide Formula: C18H20ClN4O5S+ MolecularWeight: 439.8932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN4O5S/c1-21-8-10-22(11-9-21)29(27,28)17-12-13(6-7-14(17)19)18(24)20-15-4-2-3-5-16(15)23(25)26/h2-7,12H,8-11H2,1H3,(H,20,24)/p+1