2-chloranyl-2-[3-(hexadecylsulfonylamino)-4-methylsulfonyl-phenoxy]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide

Systemtic Name: 2-chloranyl-2-[3-(hexadecylsulfonylamino)-4-methylsulfonyl-phenoxy]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide Openeye Name: 2-chloro-2-[3-(hexadecylsulfonylamino)-4-methylsulfonyl-phenoxy]-4,4-dimethyl-3-oxo-N-phenyl-pentanamide CAS Name: 2-chloro-2-[3-(hexadecylsulfonylamino)-4-methylsulfonylphenoxy]-4,4-dimethyl-3-oxo-N-phenylpentanamide IUPAC Name: 2-chloro-2-[3-(hexadecylsulfonylamino)-4-methylsulfonylphenoxy]-4,4-dimethyl-3-oxo-N-phenylpentanamide Traditional Name: 2-[3-(cetylsulfonylamino)-4-mesyl-phenoxy]-2-chloro-3-keto-4,4-dimethyl-N-phenyl-valeramide Formula: C36H55ClN2O7S2 MolecularWeight: 727.4141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)OC(C(=O)C(C)(C)C)(C(=O)NC2=CC=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)OC(C(=O)C(C)(C)C)(C(=O)NC2=CC=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C36H55ClN2O7S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-48(44,45)39-31-28-30(25-26-32(31)47(5,42)43)46-36(37,33(40)35(2,3)4)34(41)38-29-23-20-19-21-24-29/h19-21,23-26,28,39H,6-18,22,27H2,1-5H3,(H,38,41)