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

Systemtic Name: [2-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ethanoate Openeye Name: [2-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3OC(=O)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C20H22N2O5S/c1-3-28(25,26)22-11-10-15-8-9-17(12-16(15)13-22)21-20(24)18-6-4-5-7-19(18)27-14(2)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)