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

Systemtic Name: 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]pentanoic acid Openeye Name: 5-[ethylsulfonyl-(2,2,6-trimethylchroman-4-yl)amino]pentanoic acid CAS Name: 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]pentanoic acid IUPAC Name: 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]pentanoic acid Traditional Name: 5-[esyl-(2,2,6-trimethylchroman-4-yl)amino]valeric acid Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CCCCC(=O)O)C1CC(OC2=C1C=C(C=C2)C)(C)C

Isomeric SMILES

CCS(=O)(=O)N(CCCCC(=O)O)C1CC(OC2=C1C=C(C=C2)C)(C)C

InChI

InChI=1S/C19H29NO5S/c1-5-26(23,24)20(11-7-6-8-18(21)22)16-13-19(3,4)25-17-10-9-14(2)12-15(16)17/h9-10,12,16H,5-8,11,13H2,1-4H3,(H,21,22)