ethyl N-[3-[[3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamate

Systemtic Name: ethyl N-[3-[[3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamate Openeye Name: ethyl N-[3-[[3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamate CAS Name: N-[3-[[3-[(hydroxyamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[[3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamate Traditional Name: N-[3-[[3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamic acid ethyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NO

Isomeric SMILES

CCOC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NO

InChI

InChI=1S/C19H21N3O6S/c1-2-28-19(24)20-15-8-5-9-16(11-15)29(26,27)22-12-14-7-4-3-6-13(14)10-17(22)18(23)21-25/h3-9,11,17,25H,2,10,12H2,1H3,(H,20,24)(H,21,23)