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

Systemtic Name: N-[5-chloranyl-4-[2-(4-dodecylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]benzamide Openeye Name: N-[5-chloro-4-[2-(4-dodecylphenyl)sulfonylbutanoylamino]-2-hydroxy-phenyl]benzamide CAS Name: N-[5-chloro-4-[[2-(4-dodecylphenyl)sulfonyl-1-oxobutyl]amino]-2-hydroxyphenyl]benzamide IUPAC Name: N-[5-chloro-4-[2-(4-dodecylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]benzamide Traditional Name: N-[5-chloro-2-hydroxy-4-[2-(4-laurylphenyl)sulfonylbutanoylamino]phenyl]benzamide Formula: C35H45ClN2O5S MolecularWeight: 641.2602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)C(CC)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)C(CC)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C35H45ClN2O5S/c1-3-5-6-7-8-9-10-11-12-14-17-26-20-22-28(23-21-26)44(42,43)33(4-2)35(41)37-30-25-32(39)31(24-29(30)36)38-34(40)27-18-15-13-16-19-27/h13,15-16,18-25,33,39H,3-12,14,17H2,1-2H3,(H,37,41)(H,38,40)