(3S)-2-methylsulfonyl-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-methylsulfonyl-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(5-benzylthiazol-2-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-methylsulfonyl-N-[5-(phenylmethyl)-2-thiazolyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(5-benzylthiazol-2-yl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=NC=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c1-29(26,27)24-14-17-10-6-5-9-16(17)12-19(24)20(25)23-21-22-13-18(28-21)11-15-7-3-2-4-8-15/h2-10,13,19H,11-12,14H2,1H3,(H,22,23,25)/t19-/m0/s1