5-[(2-chloranyl-4-dodecylsulfonyl-phenyl)amino]-2-(4-chlorophenyl)-4H-pyrazol-3-one

Systemtic Name: 5-[(2-chloranyl-4-dodecylsulfonyl-phenyl)amino]-2-(4-chlorophenyl)-4H-pyrazol-3-one Openeye Name: 5-(2-chloro-4-dodecylsulfonyl-anilino)-2-(4-chlorophenyl)-4H-pyrazol-3-one CAS Name: 5-(2-chloro-4-dodecylsulfonylanilino)-2-(4-chlorophenyl)-4H-pyrazol-3-one IUPAC Name: 5-(2-chloro-4-dodecylsulfonylanilino)-2-(4-chlorophenyl)-4H-pyrazol-3-one Traditional Name: 5-(2-chloro-4-laurylsulfonyl-anilino)-2-(4-chlorophenyl)-2-pyrazolin-3-one Formula: C27H35Cl2N3O3S MolecularWeight: 552.5561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC2=NN(C(=O)C2)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC2=NN(C(=O)C2)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C27H35Cl2N3O3S/c1-2-3-4-5-6-7-8-9-10-11-18-36(34,35)23-16-17-25(24(29)19-23)30-26-20-27(33)32(31-26)22-14-12-21(28)13-15-22/h12-17,19H,2-11,18,20H2,1H3,(H,30,31)