methyl 2-[[(3S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[(3S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[(3S)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]thiazole-5-carboxylate CAS Name: 2-[[[(3S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(3S)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S2/c1-14-7-9-17(10-8-14)32(28,29)25-13-16-6-4-3-5-15(16)11-18(25)20(26)24-22-23-12-19(31-22)21(27)30-2/h3-10,12,18H,11,13H2,1-2H3,(H,23,24,26)/t18-/m0/s1