4-[ethylsulfonyl(pyridin-4-ylmethyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid

Systemtic Name: 4-[ethylsulfonyl(pyridin-4-ylmethyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid Openeye Name: 4-[ethylsulfonyl(4-pyridylmethyl)amino]-2,2-dimethyl-chromane-6-carboxylic acid CAS Name: 4-[ethylsulfonyl(pyridin-4-ylmethyl)amino]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 4-[ethylsulfonyl(pyridin-4-ylmethyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid Traditional Name: 4-[esyl(4-pyridylmethyl)amino]-2,2-dimethyl-chroman-6-carboxylic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC1=CC=NC=C1)C2CC(OC3=C2C=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CCS(=O)(=O)N(CC1=CC=NC=C1)C2CC(OC3=C2C=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C20H24N2O5S/c1-4-28(25,26)22(13-14-7-9-21-10-8-14)17-12-20(2,3)27-18-6-5-15(19(23)24)11-16(17)18/h5-11,17H,4,12-13H2,1-3H3,(H,23,24)