2-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-[4-[methyl(tosyl)amino]phenoxy]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3CC4=CC=CC=C4CC3C(=O)N

InChI

InChI=1S/C26H27N3O5S/c1-18-7-13-23(14-8-18)35(32,33)28(2)21-9-11-22(12-10-21)34-17-25(30)29-16-20-6-4-3-5-19(20)15-24(29)26(27)31/h3-14,24H,15-17H2,1-2H3,(H2,27,31)