[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-15(21(26)24-12-10-16-5-2-3-6-17(16)14-24)29-20(25)9-11-23-30(27,28)19-8-4-7-18(22)13-19/h2-8,13,15,23H,9-12,14H2,1H3