(3R)-2-(3-bromanyl-4-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(3-bromanyl-4-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(3-bromo-4-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(3-bromo-4-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H19BrN2O4S/c1-20-18(22)16-9-12-5-3-4-6-13(12)11-21(16)26(23,24)14-7-8-17(25-2)15(19)10-14/h3-8,10,16H,9,11H2,1-2H3,(H,20,22)/t16-/m1/s1