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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid (2-anilino-2-keto-ethyl) ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c28-24(26-20-10-3-1-4-11-20)18-32-25(29)17-23-22-14-8-7-9-19(22)15-16-27(23)33(30,31)21-12-5-2-6-13-21/h1-14,23H,15-18H2,(H,26,28)