[2-[2-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]ethyl]-5-(2-methylsulfonylphenyl)phenyl] 2-azanylbutanoate

Systemtic Name: [2-[2-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]ethyl]-5-(2-methylsulfonylphenyl)phenyl] 2-azanylbutanoate Openeye Name: [2-[2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]ethyl]-5-(2-methylsulfonylphenyl)phenyl] 2-aminobutanoate CAS Name: 2-aminobutanoic acid [2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-(2-methylsulfonylphenyl)phenyl] ester IUPAC Name: [2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-(2-methylsulfonylphenyl)phenyl] 2-aminobutanoate Traditional Name: 2-aminobutyric acid [2-[2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]ethyl]-5-(2-mesylphenyl)phenyl] ester Formula: C26H27N3O7S2 MolecularWeight: 557.63848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=C(C=CC(=C1)C2=CC=CC=C2S(=O)(=O)C)CCNS(=O)(=O)C3=C(C=CC(=C3)C#N)O)N

Isomeric SMILES

CCC(C(=O)OC1=C(C=CC(=C1)C2=CC=CC=C2S(=O)(=O)C)CCNS(=O)(=O)C3=C(C=CC(=C3)C#N)O)N

InChI

InChI=1S/C26H27N3O7S2/c1-3-21(28)26(31)36-23-15-19(20-6-4-5-7-24(20)37(2,32)33)10-9-18(23)12-13-29-38(34,35)25-14-17(16-27)8-11-22(25)30/h4-11,14-15,21,29-30H,3,12-13,28H2,1-2H3