[2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(2-methoxy-4-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-[2-methoxy-4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(2-methoxy-4-morpholinosulfonyl-anilino)ethyl] ester Formula: C28H31N3O9S3 MolecularWeight: 649.75544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CS5

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C28H31N3O9S3/c1-38-25-17-21(42(34,35)30-12-14-39-15-13-30)8-9-23(25)29-26(32)19-40-27(33)18-24-22-6-3-2-5-20(22)10-11-31(24)43(36,37)28-7-4-16-41-28/h2-9,16-17,24H,10-15,18-19H2,1H3,(H,29,32)