N-[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxidanylidene-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide

Systemtic Name: N-[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxidanylidene-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide Openeye Name: 2-[4-(4-benzyloxyphenyl)sulfonylphenoxy]-N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxo-pentanamide CAS Name: N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide IUPAC Name: N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide Traditional Name: 2-[4-(4-benzoxyphenyl)sulfonylphenoxy]-N-[5-(cetylsulfonylamino)-2-chloro-phenyl]-3-keto-4,4-dimethyl-valeramide Formula: C48H63ClN2O8S2 MolecularWeight: 895.60542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C48H63ClN2O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-60(54,55)51-38-24-33-43(49)44(35-38)50-47(53)45(46(52)48(2,3)4)59-40-27-31-42(32-28-40)61(56,57)41-29-25-39(26-30-41)58-36-37-22-19-18-20-23-37/h18-20,22-33,35,45,51H,5-17,21,34,36H2,1-4H3,(H,50,53)