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

Systemtic Name: N-[5-chloranyl-2-oxidanyl-4-[2-(3-pentadecylphenyl)sulfonylbutanoylamino]phenyl]-4-phenyl-benzamide Openeye Name: N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenyl)sulfonylbutanoylamino]phenyl]-4-phenyl-benzamide CAS Name: N-[5-chloro-2-hydroxy-4-[[1-oxo-2-(3-pentadecylphenyl)sulfonylbutyl]amino]phenyl]-4-phenylbenzamide IUPAC Name: N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenyl)sulfonylbutanoylamino]phenyl]-4-phenylbenzamide Traditional Name: N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenyl)sulfonylbutanoylamino]phenyl]-4-phenyl-benzamide Formula: C44H55ClN2O5S MolecularWeight: 759.4359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)C(CC)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)C(CC)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C44H55ClN2O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21-33-22-20-25-37(30-33)53(51,52)42(4-2)44(50)46-39-32-41(48)40(31-38(39)45)47-43(49)36-28-26-35(27-29-36)34-23-18-16-19-24-34/h16,18-20,22-32,42,48H,3-15,17,21H2,1-2H3,(H,46,50)(H,47,49)