4-[(4-ethylphenyl)sulfonylamino]-2,2,3-trimethyl-3,4-dihydrochromene-6-carboxylic acid

Systemtic Name: 4-[(4-ethylphenyl)sulfonylamino]-2,2,3-trimethyl-3,4-dihydrochromene-6-carboxylic acid Openeye Name: 4-[(4-ethylphenyl)sulfonylamino]-2,2,3-trimethyl-chromane-6-carboxylic acid CAS Name: 4-[(4-ethylphenyl)sulfonylamino]-2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 4-[(4-ethylphenyl)sulfonylamino]-2,2,3-trimethyl-3,4-dihydrochromene-6-carboxylic acid Traditional Name: 4-[(4-ethylphenyl)sulfonylamino]-2,2,3-trimethyl-chroman-6-carboxylic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C21H25NO5S/c1-5-14-6-9-16(10-7-14)28(25,26)22-19-13(2)21(3,4)27-18-11-8-15(20(23)24)12-17(18)19/h6-13,19,22H,5H2,1-4H3,(H,23,24)