N-tert-butyl-4-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]benzenesulfonamide CAS Name: N-tert-butyl-4-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]benzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzenesulfonamide Traditional Name: N-tert-butyl-4-[[(E)-[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]benzenesulfonamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4O3S/c1-14-19(20(27)26(24-14)17-9-5-15(22)6-10-17)13-23-16-7-11-18(12-8-16)30(28,29)25-21(2,3)4/h5-13,23,25H,1-4H3/b19-13+