2-ethylsulfonyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(4-methyl-2-oxo-chromen-7-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(4-methyl-2-oxochromen-7-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(2-keto-4-methyl-chromen-7-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C22H22N2O5S/c1-3-30(27,28)24-13-16-7-5-4-6-15(16)11-19(24)22(26)23-17-8-9-18-14(2)10-21(25)29-20(18)12-17/h4-10,12,19H,3,11,13H2,1-2H3,(H,23,26)