(1R,3S,4R)-4-bromanyl-3-methoxy-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1R,3S,4R)-4-bromanyl-3-methoxy-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1R,3S,4R)-2-(benzenesulfonyl)-4-bromo-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1R,3S,4R)-2-(benzenesulfonyl)-4-bromo-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1R,3S,4R)-2-(benzenesulfonyl)-4-bromo-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1R,3S,4R)-2-besyl-4-bromo-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C2=CC=CC=C2C(N1S(=O)(=O)C3=CC=CC=C3)C#N)Br

Isomeric SMILES

CO[C@H]1[C@@H](C2=CC=CC=C2[C@@H](N1S(=O)(=O)C3=CC=CC=C3)C#N)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-23-17-16(18)14-10-6-5-9-13(14)15(11-19)20(17)24(21,22)12-7-3-2-4-8-12/h2-10,15-17H,1H3/t15-,16+,17-/m0/s1