4-[4-(2-cyanoethylsulfamoyl)phenyl]carbonyl-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide

Systemtic Name: 4-[4-(2-cyanoethylsulfamoyl)phenyl]carbonyl-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide Openeye Name: 4-[4-(2-cyanoethylsulfamoyl)benzoyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide CAS Name: 4-[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]-N-cyclohexyl-N-methyl-1-piperazinesulfonamide IUPAC Name: 4-[4-(2-cyanoethylsulfamoyl)benzoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide Traditional Name: 4-[4-(2-cyanoethylsulfamoyl)benzoyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide Formula: C21H31N5O5S2 MolecularWeight: 497.63134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C21H31N5O5S2/c1-24(19-6-3-2-4-7-19)33(30,31)26-16-14-25(15-17-26)21(27)18-8-10-20(11-9-18)32(28,29)23-13-5-12-22/h8-11,19,23H,2-7,13-17H2,1H3