2-chloranyl-N-(2-chloranyl-4-dodecylsulfonyl-phenyl)-3-(3-methyl-2-phenyl-3,4-dihydropyrazol-5-yl)-3-oxidanylidene-propanamide

Systemtic Name: 2-chloranyl-N-(2-chloranyl-4-dodecylsulfonyl-phenyl)-3-(3-methyl-2-phenyl-3,4-dihydropyrazol-5-yl)-3-oxidanylidene-propanamide Openeye Name: 2-chloro-N-(2-chloro-4-dodecylsulfonyl-phenyl)-3-(3-methyl-2-phenyl-3,4-dihydropyrazol-5-yl)-3-oxo-propanamide CAS Name: 2-chloro-N-(2-chloro-4-dodecylsulfonylphenyl)-3-(3-methyl-2-phenyl-3,4-dihydropyrazol-5-yl)-3-oxopropanamide IUPAC Name: 2-chloro-N-(2-chloro-4-dodecylsulfonylphenyl)-3-(3-methyl-2-phenyl-3,4-dihydropyrazol-5-yl)-3-oxopropanamide Traditional Name: 2-chloro-N-(2-chloro-4-laurylsulfonyl-phenyl)-3-keto-3-(5-methyl-1-phenyl-2-pyrazolin-3-yl)propionamide Formula: C31H41Cl2N3O4S MolecularWeight: 622.64594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC(=O)C(C(=O)C2=NN(C(C2)C)C3=CC=CC=C3)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC(=O)C(C(=O)C2=NN(C(C2)C)C3=CC=CC=C3)Cl)Cl

InChI

InChI=1S/C31H41Cl2N3O4S/c1-3-4-5-6-7-8-9-10-11-15-20-41(39,40)25-18-19-27(26(32)22-25)34-31(38)29(33)30(37)28-21-23(2)36(35-28)24-16-13-12-14-17-24/h12-14,16-19,22-23,29H,3-11,15,20-21H2,1-2H3,(H,34,38)