[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-[5-(4-chlorophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[3-(4-chlorophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C31H26ClN3O6S MolecularWeight: 604.07264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4C(CC(=N4)C5=CC=C(C=C5)Cl)C6=CC=CO6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4C(CC(=N4)C5=CC=C(C=C5)Cl)C6=CC=CO6

InChI

InChI=1S/C31H26ClN3O6S/c32-25-12-10-22(11-13-25)27-18-28(29-9-4-16-40-29)35(33-27)30(36)20-41-31(37)23-7-3-8-26(17-23)42(38,39)34-15-14-21-5-1-2-6-24(21)19-34/h1-13,16-17,28H,14-15,18-20H2