phenacyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: phenacyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: phenacyl 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid phenacyl ester IUPAC Name: phenacyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid phenacyl ester Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H21NO5S2/c25-21(18-8-2-1-3-9-18)16-29-22(26)15-20-19-10-5-4-7-17(19)12-13-24(20)31(27,28)23-11-6-14-30-23/h1-11,14,20H,12-13,15-16H2