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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O3S2/c1-17-10-12-20(13-11-17)33(30,31)28-16-19-7-3-2-6-18(19)14-22(28)25(29)26-15-24-27-21-8-4-5-9-23(21)32-24/h2-13,22H,14-16H2,1H3,(H,26,29)