N-(2-chloranyl-4-methyl-5-oxidanyl-phenyl)-2-(4-dodecylphenyl)sulfonyl-butanamide

Systemtic Name: N-(2-chloranyl-4-methyl-5-oxidanyl-phenyl)-2-(4-dodecylphenyl)sulfonyl-butanamide Openeye Name: N-(2-chloro-5-hydroxy-4-methyl-phenyl)-2-(4-dodecylphenyl)sulfonyl-butanamide CAS Name: N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(4-dodecylphenyl)sulfonylbutanamide IUPAC Name: N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(4-dodecylphenyl)sulfonylbutanamide Traditional Name: N-(2-chloro-5-hydroxy-4-methyl-phenyl)-2-(4-laurylphenyl)sulfonyl-butyramide Formula: C29H42ClNO4S MolecularWeight: 536.16608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)C(CC)C(=O)NC2=C(C=C(C(=C2)O)C)Cl

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)C(CC)C(=O)NC2=C(C=C(C(=C2)O)C)Cl

InChI

InChI=1S/C29H42ClNO4S/c1-4-6-7-8-9-10-11-12-13-14-15-23-16-18-24(19-17-23)36(34,35)28(5-2)29(33)31-26-21-27(32)22(3)20-25(26)30/h16-21,28,32H,4-15H2,1-3H3,(H,31,33)