2-[4-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitrophenyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitrophenyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N5O5S+ MolecularWeight: 488.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)NCC=C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)NCC=C)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N5O5S/c1-4-9-24-23(29)16-26-10-12-27(13-11-26)21-8-6-19(15-22(21)28(30)31)34(32,33)25-20-7-5-17(2)14-18(20)3/h4-8,14-15,25H,1,9-13,16H2,2-3H3,(H,24,29)/p+1