(3S)-2-(4-methylphenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NN=C(S4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC4=NN=C(S4)C(C)C

InChI

InChI=1S/C22H24N4O3S2/c1-14(2)21-24-25-22(30-21)23-20(27)19-12-16-6-4-5-7-17(16)13-26(19)31(28,29)18-10-8-15(3)9-11-18/h4-11,14,19H,12-13H2,1-3H3,(H,23,25,27)/t19-/m0/s1