2-[2,2-dimethyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-3,4-dihydrochromen-8-yl]ethanoic acid

Systemtic Name: 2-[2,2-dimethyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-3,4-dihydrochromen-8-yl]ethanoic acid Openeye Name: 2-[2,2-dimethyl-4-[(p-tolylsulfonylamino)methyl]chroman-8-yl]acetic acid CAS Name: 2-[2,2-dimethyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-3,4-dihydro-2H-1-benzopyran-8-yl]acetic acid IUPAC Name: 2-[2,2-dimethyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-3,4-dihydrochromen-8-yl]acetic acid Traditional Name: 2-[2,2-dimethyl-4-[(tosylamino)methyl]chroman-8-yl]acetic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CC(OC3=C2C=CC=C3CC(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CC(OC3=C2C=CC=C3CC(=O)O)(C)C

InChI

InChI=1S/C21H25NO5S/c1-14-7-9-17(10-8-14)28(25,26)22-13-16-12-21(2,3)27-20-15(11-19(23)24)5-4-6-18(16)20/h4-10,16,22H,11-13H2,1-3H3,(H,23,24)