5-bromanyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide Openeye Name: 5-bromo-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide CAS Name: 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-furancarboxamide IUPAC Name: 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide Traditional Name: 5-bromo-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-furamide Formula: C18H15BrN2O4S2 MolecularWeight: 467.3567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(O3)Br)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(O3)Br)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H15BrN2O4S2/c19-16-6-5-15(25-16)18(22)20-14-4-3-12-7-8-21(11-13(12)10-14)27(23,24)17-2-1-9-26-17/h1-6,9-10H,7-8,11H2,(H,20,22)