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

Systemtic Name: [2-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ethanoate Openeye Name: [2-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-13(22)26-18-6-4-3-5-17(18)19(23)20-16-8-7-14-9-10-21(27(2,24)25)12-15(14)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)