(3S)-2-(2,5-dimethoxyphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(2,5-dimethoxyphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(2,5-dimethoxyphenyl)sulfonyl-N-thiazol-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(2,5-dimethoxyphenyl)sulfonyl-N-(2-thiazolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(2,5-dimethoxyphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(2,5-dimethoxyphenyl)sulfonyl-N-thiazol-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC=CS4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H21N3O5S2/c1-28-16-7-8-18(29-2)19(12-16)31(26,27)24-13-15-6-4-3-5-14(15)11-17(24)20(25)23-21-22-9-10-30-21/h3-10,12,17H,11,13H2,1-2H3,(H,22,23,25)/t17-/m0/s1