N-[4-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohexyl]methylsulfamoyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohexyl]methylsulfamoyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide CAS Name: N-[4-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide Traditional Name: N-[4-[[4-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H32N4O4S/c1-16(26)23-19-7-9-20(10-8-19)30(28,29)22-15-17-3-5-18(6-4-17)21(27)25-13-11-24(2)12-14-25/h7-10,17-18,22H,3-6,11-15H2,1-2H3,(H,23,26)/p+1