[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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