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

Systemtic Name: [2-[2-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]ethyl]-5-propan-2-yl-phenyl] 2-azanylbutanoate Openeye Name: [2-[2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]ethyl]-5-isopropyl-phenyl] 2-aminobutanoate CAS Name: 2-aminobutanoic acid [2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-propan-2-ylphenyl] ester IUPAC Name: [2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-propan-2-ylphenyl] 2-aminobutanoate Traditional Name: 2-aminobutyric acid [2-[2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]ethyl]-5-isopropyl-phenyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-4-18(24)22(27)30-20-12-17(14(2)3)7-6-16(20)9-10-25-31(28,29)21-11-15(13-23)5-8-19(21)26/h5-8,11-12,14,18,25-26H,4,9-10,24H2,1-3H3