(3R)-2-ethylsulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-ethylsulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-ethylsulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-ethylsulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-ethylsulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-esyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NC3=CC4=C(C=C3)N=C(S4)C

InChI

InChI=1S/C20H21N3O3S2/c1-3-28(25,26)23-12-15-7-5-4-6-14(15)10-18(23)20(24)22-16-8-9-17-19(11-16)27-13(2)21-17/h4-9,11,18H,3,10,12H2,1-2H3,(H,22,24)/t18-/m1/s1