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

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-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-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-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-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H23N3O6S/c1-14(19(25)23-21(27)22-2)30-20(26)16-7-9-18(10-8-16)31(28,29)24-12-11-15-5-3-4-6-17(15)13-24/h3-10,14H,11-13H2,1-2H3,(H2,22,23,25,27)/t14-/m1/s1