N-cyclohexyl-4-[2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-cyclohexyl-4-[2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-cyclohexyl-4-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-cyclohexyl-4-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-cyclohexyl-4-[2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C22H36N5O5S+ MolecularWeight: 482.61674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C(=O)NC3CCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H35N5O5S/c1-25(2)33(30,31)18-9-10-20(32-3)19(15-18)24-21(28)16-26-11-13-27(14-12-26)22(29)23-17-7-5-4-6-8-17/h9-10,15,17H,4-8,11-14,16H2,1-3H3,(H,23,29)(H,24,28)/p+1