4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(2-oxochromen-3-yl)thiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(2-ketochromen-3-yl)thiazol-2-yl]benzamide Formula: C28H21N3O5S2 MolecularWeight: 543.61344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC(=CS4)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC(=CS4)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C28H21N3O5S2/c32-26(30-28-29-24(17-37-28)23-15-20-6-3-4-8-25(20)36-27(23)33)19-9-11-22(12-10-19)38(34,35)31-14-13-18-5-1-2-7-21(18)16-31/h1-12,15,17H,13-14,16H2,(H,29,30,32)