3-(3-cyanophenyl)-2-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-(3-cyanophenyl)-2-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]propanoic acid Openeye Name: 3-(3-cyanophenyl)-2-[(2,2,5,7,8-pentamethylchroman-6-yl)sulfonylamino]propanoic acid CAS Name: 3-(3-cyanophenyl)-2-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonylamino]propanoic acid IUPAC Name: 3-(3-cyanophenyl)-2-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]propanoic acid Traditional Name: 3-(3-cyanophenyl)-2-[(2,2,5,7,8-pentamethylchroman-6-yl)sulfonylamino]propionic acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(CC3=CC=CC(=C3)C#N)C(=O)O)C)CCC(O2)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(CC3=CC=CC(=C3)C#N)C(=O)O)C)CCC(O2)(C)C

InChI

InChI=1S/C24H28N2O5S/c1-14-15(2)22(16(3)19-9-10-24(4,5)31-21(14)19)32(29,30)26-20(23(27)28)12-17-7-6-8-18(11-17)13-25/h6-8,11,20,26H,9-10,12H2,1-5H3,(H,27,28)