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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O5S/c21-17-6-3-7-18(12-17)29(26,27)22-10-8-20(25)28-14-19(24)23-11-9-15-4-1-2-5-16(15)13-23/h1-7,12,22H,8-11,13-14H2