4-(5-ethylsulfonylpentylamino)-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid

Systemtic Name: 4-(5-ethylsulfonylpentylamino)-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid Openeye Name: 4-(5-ethylsulfonylpentylamino)-2,2-dimethyl-chromane-6-carboxylic acid CAS Name: 4-(5-ethylsulfonylpentylamino)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 4-(5-ethylsulfonylpentylamino)-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid Traditional Name: 4-(5-esylpentylamino)-2,2-dimethyl-chroman-6-carboxylic acid Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCCCCNC1CC(OC2=C1C=C(C=C2)C(=O)O)(C)C

Isomeric SMILES

CCS(=O)(=O)CCCCCNC1CC(OC2=C1C=C(C=C2)C(=O)O)(C)C

InChI

InChI=1S/C19H29NO5S/c1-4-26(23,24)11-7-5-6-10-20-16-13-19(2,3)25-17-9-8-14(18(21)22)12-15(16)17/h8-9,12,16,20H,4-7,10-11,13H2,1-3H3,(H,21,22)