(1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-4-(dimethylamino)-2-mesyl-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C(N(C(C2=CC=CC=C12)C#N)S(=O)(=O)C)OC

Isomeric SMILES

CN(C)[C@H]1[C@@H](N([C@@H](C2=CC=CC=C12)C#N)S(=O)(=O)C)OC

InChI

InChI=1S/C14H19N3O3S/c1-16(2)13-11-8-6-5-7-10(11)12(9-15)17(14(13)20-3)21(4,18)19/h5-8,12-14H,1-4H3/t12-,13-,14+/m1/s1