N'-butyl-5-(4-chlorophenyl)-N-cyano-4-(4-methylsulfonyl-2-oxidanylidene-piperazin-1-yl)-3,4-dihydropyrazole-2-carboximidamide

Systemtic Name: N'-butyl-5-(4-chlorophenyl)-N-cyano-4-(4-methylsulfonyl-2-oxidanylidene-piperazin-1-yl)-3,4-dihydropyrazole-2-carboximidamide Openeye Name: N'-butyl-5-(4-chlorophenyl)-N-cyano-4-(4-methylsulfonyl-2-oxo-piperazin-1-yl)-3,4-dihydropyrazole-2-carboxamidine CAS Name: N'-butyl-5-(4-chlorophenyl)-N-cyano-4-(4-methylsulfonyl-2-oxo-1-piperazinyl)-3,4-dihydropyrazole-2-carboximidamide IUPAC Name: N'-butyl-5-(4-chlorophenyl)-N-cyano-4-(4-methylsulfonyl-2-oxopiperazin-1-yl)-3,4-dihydropyrazole-2-carboximidamide Traditional Name: N'-butyl-3-(4-chlorophenyl)-N-cyano-4-(2-keto-4-mesyl-piperazino)-2-pyrazoline-1-carboxamidine Formula: C20H26ClN7O3S MolecularWeight: 479.98354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NC#N)N1CC(C(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3=O)S(=O)(=O)C

Isomeric SMILES

CCCCN=C(NC#N)N1CC(C(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3=O)S(=O)(=O)C

InChI

InChI=1S/C20H26ClN7O3S/c1-3-4-9-23-20(24-14-22)28-12-17(19(25-28)15-5-7-16(21)8-6-15)27-11-10-26(13-18(27)29)32(2,30)31/h5-8,17H,3-4,9-13H2,1-2H3,(H,23,24)