(1S)-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[5-(diethylsulfamoyl)-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide Formula: C22H35N4O3S+ MolecularWeight: 435.6033

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3CCC=CC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C22H34N4O3S/c1-4-26(5-2)30(28,29)19-11-12-21(25-15-13-24(3)14-16-25)20(17-19)23-22(27)18-9-7-6-8-10-18/h6-7,11-12,17-18H,4-5,8-10,13-16H2,1-3H3,(H,23,27)/p+1/t18-/m1/s1