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

Systemtic Name: methyl 3-[ethylsulfonyl(pyridin-4-ylmethyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl 3-[ethylsulfonyl(4-pyridylmethyl)amino]-2,2-dimethyl-chromane-6-carboxylate CAS Name: 3-[ethylsulfonyl(pyridin-4-ylmethyl)amino]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[ethylsulfonyl(pyridin-4-ylmethyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate Traditional Name: 3-[esyl(4-pyridylmethyl)amino]-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC1=CC=NC=C1)C2CC3=C(C=CC(=C3)C(=O)OC)OC2(C)C

Isomeric SMILES

CCS(=O)(=O)N(CC1=CC=NC=C1)C2CC3=C(C=CC(=C3)C(=O)OC)OC2(C)C

InChI

InChI=1S/C21H26N2O5S/c1-5-29(25,26)23(14-15-8-10-22-11-9-15)19-13-17-12-16(20(24)27-4)6-7-18(17)28-21(19,2)3/h6-12,19H,5,13-14H2,1-4H3