[4-(dimethylsulfamoyl)piperazin-1-yl] 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate

Systemtic Name: [4-(dimethylsulfamoyl)piperazin-1-yl] 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate Openeye Name: [4-(dimethylsulfamoyl)piperazin-1-yl] 4-(5-amino-4-cyano-pyrazol-1-yl)benzoate CAS Name: 4-(5-amino-4-cyano-1-pyrazolyl)benzoic acid [4-(dimethylsulfamoyl)-1-piperazinyl] ester IUPAC Name: [4-(dimethylsulfamoyl)piperazin-1-yl] 4-(5-amino-4-cyanopyrazol-1-yl)benzoate Traditional Name: 4-(5-amino-4-cyano-pyrazol-1-yl)benzoic acid [4-(dimethylsulfamoyl)piperazino] ester Formula: C17H21N7O4S MolecularWeight: 419.45814

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)OC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C#N)N

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)OC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C17H21N7O4S/c1-21(2)29(26,27)23-9-7-22(8-10-23)28-17(25)13-3-5-15(6-4-13)24-16(19)14(11-18)12-20-24/h3-6,12H,7-10,19H2,1-2H3