2-[4-[[(4-cyanophenyl)sulfonylamino]methyl]-2,2-dimethyl-3,4-dihydrochromen-7-yl]ethanoic acid

Systemtic Name: 2-[4-[[(4-cyanophenyl)sulfonylamino]methyl]-2,2-dimethyl-3,4-dihydrochromen-7-yl]ethanoic acid Openeye Name: 2-[4-[[(4-cyanophenyl)sulfonylamino]methyl]-2,2-dimethyl-chroman-7-yl]acetic acid CAS Name: 2-[4-[[(4-cyanophenyl)sulfonylamino]methyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]acetic acid IUPAC Name: 2-[4-[[(4-cyanophenyl)sulfonylamino]methyl]-2,2-dimethyl-3,4-dihydrochromen-7-yl]acetic acid Traditional Name: 2-[4-[[(4-cyanophenyl)sulfonylamino]methyl]-2,2-dimethyl-chroman-7-yl]acetic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=C(C=C2)CC(=O)O)CNS(=O)(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=C(C=C2)CC(=O)O)CNS(=O)(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H22N2O5S/c1-21(2)11-16(18-8-5-15(10-20(24)25)9-19(18)28-21)13-23-29(26,27)17-6-3-14(12-22)4-7-17/h3-9,16,23H,10-11,13H2,1-2H3,(H,24,25)