[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl] 2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(5-chloro-2-phenoxy-anilino)-2-keto-ethyl] ester Formula: C28H23ClN2O6S2 MolecularWeight: 583.07502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5

InChI

InChI=1S/C28H23ClN2O6S2/c29-21-12-13-25(37-22-9-2-1-3-10-22)23(16-21)30-26(32)18-36-28(33)24-15-19-7-4-5-8-20(19)17-31(24)39(34,35)27-11-6-14-38-27/h1-14,16,24H,15,17-18H2,(H,30,32)