methyl 4-[[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3R)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-3-28(25,26)22-13-16-7-5-4-6-15(16)12-18(22)19(23)21-17-10-8-14(9-11-17)20(24)27-2/h4-11,18H,3,12-13H2,1-2H3,(H,21,23)/t18-/m1/s1