[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H20BrN3O5S2 MolecularWeight: 550.4453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=NC=C(S3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=NC=C(S3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20BrN3O5S2/c23-19-13-24-22(32-19)25-20(27)14-31-21(28)12-18-17-9-5-4-6-15(17)10-11-26(18)33(29,30)16-7-2-1-3-8-16/h1-9,13,18H,10-12,14H2,(H,24,25,27)