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

Systemtic Name: 2-[4-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitrophenyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitrophenyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide Formula: C22H34N5O5S+ MolecularWeight: 480.60086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O5S/c1-3-10-23-22(28)16-25-11-13-26(14-12-25)20-9-8-19(15-21(20)27(29)30)33(31,32)24-18-6-4-17(2)5-7-18/h3,8-9,15,17-18,24H,1,4-7,10-14,16H2,2H3,(H,23,28)/p+1