5-[methylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]pentanoic acid

Systemtic Name: 5-[methylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]pentanoic acid Openeye Name: 5-[methylsulfonyl-(2,2,6-trimethylchroman-4-yl)amino]pentanoic acid CAS Name: 5-[methylsulfonyl-(2,2,6-trimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]pentanoic acid IUPAC Name: 5-[methylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]pentanoic acid Traditional Name: 5-[mesyl-(2,2,6-trimethylchroman-4-yl)amino]valeric acid Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CC2N(CCCCC(=O)O)S(=O)(=O)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CC2N(CCCCC(=O)O)S(=O)(=O)C)(C)C

InChI

InChI=1S/C18H27NO5S/c1-13-8-9-16-14(11-13)15(12-18(2,3)24-16)19(25(4,22)23)10-6-5-7-17(20)21/h8-9,11,15H,5-7,10,12H2,1-4H3,(H,20,21)