3-chloranyl-4-[[4-[2,4-di(propan-2-yl)phenyl]sulfanyl-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]amino]-N-dodecyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-[[4-[2,4-di(propan-2-yl)phenyl]sulfanyl-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]amino]-N-dodecyl-benzenesulfonamide Openeye Name: 3-chloro-4-[[4-(2,4-diisopropylphenyl)sulfanyl-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]-N-dodecyl-benzenesulfonamide CAS Name: 3-chloro-4-[[4-[[2,4-di(propan-2-yl)phenyl]thio]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]-N-dodecylbenzenesulfonamide IUPAC Name: 3-chloro-4-[[4-[2,4-di(propan-2-yl)phenyl]sulfanyl-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]-N-dodecylbenzenesulfonamide Traditional Name: 3-chloro-4-[[4-[(2,4-diisopropylphenyl)thio]-5-keto-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]amino]-N-lauryl-benzenesulfonamide Formula: C39H50Cl4N4O3S2 MolecularWeight: 828.7813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNS(=O)(=O)C1=CC(=C(C=C1)NC2=NN(C(=O)C2SC3=C(C=C(C=C3)C(C)C)C(C)C)C4=C(C=C(C=C4Cl)Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCNS(=O)(=O)C1=CC(=C(C=C1)NC2=NN(C(=O)C2SC3=C(C=C(C=C3)C(C)C)C(C)C)C4=C(C=C(C=C4Cl)Cl)Cl)Cl

InChI

InChI=1S/C39H50Cl4N4O3S2/c1-6-7-8-9-10-11-12-13-14-15-20-44-52(49,50)29-17-18-34(31(41)24-29)45-38-37(51-35-19-16-27(25(2)3)21-30(35)26(4)5)39(48)47(46-38)36-32(42)22-28(40)23-33(36)43/h16-19,21-26,37,44H,6-15,20H2,1-5H3,(H,45,46)