[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl] ester Formula: C27H26N2O5S MolecularWeight: 490.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H26N2O5S/c1-19(26(30)29-17-15-21-7-4-5-9-25(21)29)34-27(31)22-10-12-24(13-11-22)35(32,33)28-16-14-20-6-2-3-8-23(20)18-28/h2-13,19H,14-18H2,1H3/t19-/m1/s1