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

Systemtic Name: (3-chlorophenyl)methyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: (3-chlorophenyl)methyl 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 (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 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 (3-chlorobenzyl) ester Formula: C22H20ClNO4S2 MolecularWeight: 461.9815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H20ClNO4S2/c23-18-7-3-5-16(13-18)15-28-21(25)14-20-19-8-2-1-6-17(19)10-11-24(20)30(26,27)22-9-4-12-29-22/h1-9,12-13,20H,10-11,14-15H2