(3R)-2-(5-bromanyl-2-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(5-bromanyl-2-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(5-bromo-2-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-(5-bromo-2-methoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(5-bromo-2-methoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(5-bromo-2-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=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O4S/c1-20-18(22)15-9-12-5-3-4-6-13(12)11-21(15)26(23,24)17-10-14(19)7-8-16(17)25-2/h3-8,10,15H,9,11H2,1-2H3,(H,20,22)/t15-/m1/s1