tert-butyl N-[2-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamate

Systemtic Name: tert-butyl N-[2-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Openeye Name: tert-butyl N-[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamate CAS Name: N-[3-[(hydroxyamino)-oxomethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Traditional Name: N-[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamic acid tert-butyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO)C=C1

InChI

InChI=1S/C22H27N3O7S/c1-22(2,3)32-21(27)23-16-6-5-14-12-19(20(26)24-28)25(13-15(14)11-16)33(29,30)18-9-7-17(31-4)8-10-18/h5-11,19,28H,12-13H2,1-4H3,(H,23,27)(H,24,26)