N-[5-chloranyl-4-[5-(2,5-dioctoxyphenyl)sulfonylpentanoylamino]-2-oxidanyl-phenyl]benzamide

Systemtic Name: N-[5-chloranyl-4-[5-(2,5-dioctoxyphenyl)sulfonylpentanoylamino]-2-oxidanyl-phenyl]benzamide Openeye Name: N-[5-chloro-4-[5-(2,5-dioctoxyphenyl)sulfonylpentanoylamino]-2-hydroxy-phenyl]benzamide CAS Name: N-[5-chloro-4-[[5-(2,5-dioctoxyphenyl)sulfonyl-1-oxopentyl]amino]-2-hydroxyphenyl]benzamide IUPAC Name: N-[5-chloro-4-[5-(2,5-dioctoxyphenyl)sulfonylpentanoylamino]-2-hydroxyphenyl]benzamide Traditional Name: N-[5-chloro-4-[5-(2,5-dioctoxyphenyl)sulfonylpentanoylamino]-2-hydroxy-phenyl]benzamide Formula: C40H55ClN2O7S MolecularWeight: 743.3919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)S(=O)(=O)CCCCC(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)S(=O)(=O)CCCCC(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C40H55ClN2O7S/c1-3-5-7-9-11-17-25-49-32-23-24-37(50-26-18-12-10-8-6-4-2)38(28-32)51(47,48)27-19-16-22-39(45)42-34-30-36(44)35(29-33(34)41)43-40(46)31-20-14-13-15-21-31/h13-15,20-21,23-24,28-30,44H,3-12,16-19,22,25-27H2,1-2H3,(H,42,45)(H,43,46)