N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C3=CC(=CC(=C3)C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C3=CC(=CC(=C3)C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N3O3S2/c1-4-35(32,33)29-17-21-10-6-5-9-20(21)16-24(29)26(31)30(22-14-18(2)13-19(3)15-22)27-28-23-11-7-8-12-25(23)34-27/h5-15,24H,4,16-17H2,1-3H3