cyclopropane; [3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]cyanamide

Systemtic Name: cyclopropane; [3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]cyanamide Openeye Name: cyclopropane; [4-(4-hydroxy-2-methylsulfonyl-phenoxy)-3,5-dimethyl-phenyl]cyanamide CAS Name: cyclopropane; [4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylphenyl]cyanamide IUPAC Name: cyclopropane; [4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylphenyl]cyanamide Traditional Name: cyclopropane; [4-(4-hydroxy-2-mesyl-phenoxy)-3,5-dimethyl-phenyl]cyanamide Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)S(=O)(=O)C)C)NC#N.C1CC1

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)S(=O)(=O)C)C)NC#N.C1CC1

InChI

InChI=1S/C16H16N2O4S.C3H6/c1-10-6-12(18-9-17)7-11(2)16(10)22-14-5-4-13(19)8-15(14)23(3,20)21;1-2-3-1/h4-8,18-19H,1-3H3;1-3H2