[2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ethanoate Openeye Name: [2-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[oxo-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]methyl]phenyl] ester IUPAC Name: [2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]phenyl] ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C22H20N2O5S2/c1-15(25)29-20-6-3-2-5-19(20)22(26)23-18-9-8-16-10-11-24(14-17(16)13-18)31(27,28)21-7-4-12-30-21/h2-9,12-13H,10-11,14H2,1H3,(H,23,26)