2-[[2-[2-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]ethyl]-5-propan-2-yl-phenyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]ethyl]-5-propan-2-yl-phenyl]amino]ethanoic acid Openeye Name: 2-[2-[2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]ethyl]-5-isopropyl-anilino]acetic acid CAS Name: 2-[2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-propan-2-ylanilino]acetic acid IUPAC Name: 2-[2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-propan-2-ylanilino]acetic acid Traditional Name: 2-[2-[2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]ethyl]-5-isopropyl-anilino]acetic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)CCNS(=O)(=O)C2=C(C=CC(=C2)C#N)O)NCC(=O)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)CCNS(=O)(=O)C2=C(C=CC(=C2)C#N)O)NCC(=O)O

InChI

InChI=1S/C20H23N3O5S/c1-13(2)16-5-4-15(17(10-16)22-12-20(25)26)7-8-23-29(27,28)19-9-14(11-21)3-6-18(19)24/h3-6,9-10,13,22-24H,7-8,12H2,1-2H3,(H,25,26)