tert-butyl [1-[(4-hydroxyphenyl)sulfonyl-(phenylmethyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl] carbonate

Systemtic Name: tert-butyl [1-[(4-hydroxyphenyl)sulfonyl-(phenylmethyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl] carbonate Openeye Name: [1-[benzyl-(4-hydroxyphenyl)sulfonyl-amino]-3,4-dihydro-1H-isoquinolin-2-yl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [1-[(4-hydroxyphenyl)sulfonyl-(phenylmethyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl] ester IUPAC Name: [1-[benzyl-(4-hydroxyphenyl)sulfonylamino]-3,4-dihydro-1H-isoquinolin-2-yl] tert-butyl carbonate Traditional Name: carbonic acid [1-[benzyl-(4-hydroxyphenyl)sulfonyl-amino]-3,4-dihydro-1H-isoquinolin-2-yl] tert-butyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCC2=CC=CC=C2C1N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCC2=CC=CC=C2C1N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C27H30N2O6S/c1-27(2,3)34-26(31)35-28-18-17-21-11-7-8-12-24(21)25(28)29(19-20-9-5-4-6-10-20)36(32,33)23-15-13-22(30)14-16-23/h4-16,25,30H,17-19H2,1-3H3