N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC5=C(C=C(C=C5S4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC5=C(C=C(C=C5S4)C)C

InChI

InChI=1S/C26H25N3O3S2/c1-16-8-10-21(11-9-16)34(31,32)29-15-20-7-5-4-6-19(20)14-22(29)25(30)28-26-27-24-18(3)12-17(2)13-23(24)33-26/h4-13,22H,14-15H2,1-3H3,(H,27,28,30)