6-bromanyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)chromen-2-one

Systemtic Name: 6-bromanyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)chromen-2-one Openeye Name: 6-bromo-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)chromen-2-one CAS Name: 6-bromo-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-benzopyran-2-one IUPAC Name: 6-bromo-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)chromen-2-one Traditional Name: 6-bromo-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)coumarin Formula: C18H14BrNO4S MolecularWeight: 420.27706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C18H14BrNO4S/c19-15-5-6-16-14(9-15)10-17(18(21)24-16)25(22,23)20-8-7-12-3-1-2-4-13(12)11-20/h1-6,9-10H,7-8,11H2