[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H24N2O5S/c1-15-7-9-19(10-8-15)29(26,27)22-13-20(24)28-16(2)21(25)23-12-11-17-5-3-4-6-18(17)14-23/h3-10,16,22H,11-14H2,1-2H3/t16-/m1/s1