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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic 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-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H25FN2O5S MolecularWeight: 496.550503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H25FN2O5S/c27-22-12-6-7-13-24(22)35(32,33)28-23(16-19-8-2-1-3-9-19)26(31)34-18-25(30)29-15-14-20-10-4-5-11-21(20)17-29/h1-13,23,28H,14-18H2