N-[5-chloranyl-4-[2-(4-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-4-dodecyl-benzamide

Systemtic Name: N-[5-chloranyl-4-[2-(4-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-4-dodecyl-benzamide Openeye Name: N-[5-chloro-2-hydroxy-4-[2-(p-tolylsulfonyl)butanoylamino]phenyl]-4-dodecyl-benzamide CAS Name: N-[5-chloro-2-hydroxy-4-[[2-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]phenyl]-4-dodecylbenzamide IUPAC Name: N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-4-dodecylbenzamide Traditional Name: N-[5-chloro-2-hydroxy-4-(2-tosylbutanoylamino)phenyl]-4-lauryl-benzamide Formula: C36H47ClN2O5S MolecularWeight: 655.28678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(CC)S(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(CC)S(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C36H47ClN2O5S/c1-4-6-7-8-9-10-11-12-13-14-15-27-18-20-28(21-19-27)35(41)39-32-24-30(37)31(25-33(32)40)38-36(42)34(5-2)45(43,44)29-22-16-26(3)17-23-29/h16-25,34,40H,4-15H2,1-3H3,(H,38,42)(H,39,41)