(3R)-N-(4-cyanophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(4-cyanophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-cyanophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(4-cyanophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-cyanophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-cyanophenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H19N3O3S/c1-2-26(24,25)22-13-16-6-4-3-5-15(16)11-18(22)19(23)21-17-9-7-14(12-20)8-10-17/h3-10,18H,2,11,13H2,1H3,(H,21,23)/t18-/m1/s1