N-(3-chloranyl-5-methyl-4-oxidanyl-phenyl)-4-(5-cyanoheptan-3-yl)benzenesulfonamide

Systemtic Name: N-(3-chloranyl-5-methyl-4-oxidanyl-phenyl)-4-(5-cyanoheptan-3-yl)benzenesulfonamide Openeye Name: N-(3-chloro-4-hydroxy-5-methyl-phenyl)-4-(3-cyano-1-ethyl-pentyl)benzenesulfonamide CAS Name: N-(3-chloro-4-hydroxy-5-methylphenyl)-4-(5-cyanoheptan-3-yl)benzenesulfonamide IUPAC Name: N-(3-chloro-4-hydroxy-5-methylphenyl)-4-(5-cyanoheptan-3-yl)benzenesulfonamide Traditional Name: N-(3-chloro-4-hydroxy-5-methyl-phenyl)-4-(3-cyano-1-ethyl-pentyl)benzenesulfonamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)O)Cl)C#N

Isomeric SMILES

CCC(CC(CC)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)O)Cl)C#N

InChI

InChI=1S/C21H25ClN2O3S/c1-4-15(13-23)11-16(5-2)17-6-8-19(9-7-17)28(26,27)24-18-10-14(3)21(25)20(22)12-18/h6-10,12,15-16,24-25H,4-5,11H2,1-3H3