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

Systemtic Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-(benzenesulfonyl)-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-(benzenesulfonyl)-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-(benzenesulfonyl)-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-besyl-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C(N(C(C2=CC=CC=C12)C#N)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CN(C)[C@H]1[C@@H](N([C@@H](C2=CC=CC=C12)C#N)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H21N3O3S/c1-21(2)18-16-12-8-7-11-15(16)17(13-20)22(19(18)25-3)26(23,24)14-9-5-4-6-10-14/h4-12,17-19H,1-3H3/t17-,18-,19+/m1/s1