N,N-diethyl-4-[[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[1-(4-fluorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[1-(4-fluorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[1-(4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[1-(4-fluorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]benzenesulfonamide Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H23FN4O3S/c1-4-25(5-2)30(28,29)19-12-8-17(9-13-19)23-14-20-15(3)24-26(21(20)27)18-10-6-16(22)7-11-18/h6-14,23H,4-5H2,1-3H3