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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H23N3O5S3 MolecularWeight: 541.66222

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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(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C25H23N3O5S3/c1-16-7-9-19(10-8-16)36(32,33)28-15-18-6-4-3-5-17(18)13-22(28)24(29)27-25-26-21-12-11-20(35(2,30)31)14-23(21)34-25/h3-12,14,22H,13,15H2,1-2H3,(H,26,27,29)