(3S)-N-(3-cyanothiophen-2-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(3-cyanothiophen-2-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(3-cyano-2-thienyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(3-cyano-2-thiophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(3-cyanothiophen-2-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3-cyano-2-thienyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C16H15N3O3S2/c1-24(21,22)19-10-13-5-3-2-4-11(13)8-14(19)15(20)18-16-12(9-17)6-7-23-16/h2-7,14H,8,10H2,1H3,(H,18,20)/t14-/m0/s1