2-[3-[(4-butoxyphenyl)sulfonylamino]-4-(4-phenylmethoxyphenyl)sulfonyl-phenoxy]-2-chloranyl-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide

Systemtic Name: 2-[3-[(4-butoxyphenyl)sulfonylamino]-4-(4-phenylmethoxyphenyl)sulfonyl-phenoxy]-2-chloranyl-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide Openeye Name: 2-[4-(4-benzyloxyphenyl)sulfonyl-3-[(4-butoxyphenyl)sulfonylamino]phenoxy]-2-chloro-4,4-dimethyl-3-oxo-N-phenyl-pentanamide CAS Name: 2-[3-[(4-butoxyphenyl)sulfonylamino]-4-(4-phenylmethoxyphenyl)sulfonylphenoxy]-2-chloro-4,4-dimethyl-3-oxo-N-phenylpentanamide IUPAC Name: 2-[3-[(4-butoxyphenyl)sulfonylamino]-4-(4-phenylmethoxyphenyl)sulfonylphenoxy]-2-chloro-4,4-dimethyl-3-oxo-N-phenylpentanamide Traditional Name: 2-[4-(4-benzoxyphenyl)sulfonyl-3-[(4-butoxyphenyl)sulfonylamino]phenoxy]-2-chloro-3-keto-4,4-dimethyl-N-phenyl-valeramide Formula: C42H43ClN2O9S2 MolecularWeight: 819.38182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)OC(C(=O)C(C)(C)C)(C(=O)NC3=CC=CC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)OC(C(=O)C(C)(C)C)(C(=O)NC3=CC=CC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C42H43ClN2O9S2/c1-5-6-27-52-32-19-24-36(25-20-32)56(50,51)45-37-28-34(54-42(43,39(46)41(2,3)4)40(47)44-31-15-11-8-12-16-31)21-26-38(37)55(48,49)35-22-17-33(18-23-35)53-29-30-13-9-7-10-14-30/h7-26,28,45H,5-6,27,29H2,1-4H3,(H,44,47)