methyl 2-[3-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]phenoxy]ethanoate

Systemtic Name: methyl 2-[3-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]phenoxy]ethanoate Openeye Name: methyl 2-[3-[[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenoxy]acetate CAS Name: 2-[3-[[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenoxy]acetate Traditional Name: 2-[3-[(2-tosyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]phenoxy]acetic acid methyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)OCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)OCC(=O)OC

InChI

InChI=1S/C26H26N2O6S/c1-18-10-12-23(13-11-18)35(31,32)28-16-20-7-4-3-6-19(20)14-24(28)26(30)27-21-8-5-9-22(15-21)34-17-25(29)33-2/h3-13,15,24H,14,16-17H2,1-2H3,(H,27,30)