4-chloranyl-N-[5-chloranyl-4-[2-(4-hexadecoxyphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-3-methyl-benzamide

Systemtic Name: 4-chloranyl-N-[5-chloranyl-4-[2-(4-hexadecoxyphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-3-methyl-benzamide Openeye Name: 4-chloro-N-[5-chloro-4-[2-(4-hexadecoxyphenyl)sulfonylbutanoylamino]-2-hydroxy-phenyl]-3-methyl-benzamide CAS Name: 4-chloro-N-[5-chloro-4-[[2-(4-hexadecoxyphenyl)sulfonyl-1-oxobutyl]amino]-2-hydroxyphenyl]-3-methylbenzamide IUPAC Name: 4-chloro-N-[5-chloro-4-[2-(4-hexadecoxyphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-3-methylbenzamide Traditional Name: N-[4-[2-(4-cetyloxyphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxy-phenyl]-4-chloro-3-methyl-benzamide Formula: C40H54Cl2N2O6S MolecularWeight: 761.83756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)C(CC)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC(=C(C=C3)Cl)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)C(CC)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC(=C(C=C3)Cl)C)O

InChI

InChI=1S/C40H54Cl2N2O6S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25-50-31-20-22-32(23-21-31)51(48,49)38(5-2)40(47)43-35-28-37(45)36(27-34(35)42)44-39(46)30-19-24-33(41)29(3)26-30/h19-24,26-28,38,45H,4-18,25H2,1-3H3,(H,43,47)(H,44,46)