tert-butyl 7-[[6-bromanyl-3-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[[6-bromanyl-3-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[[6-bromo-3-(p-tolylsulfonylamino)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[[6-bromo-3-[(4-methylphenyl)sulfonylamino]-2-pyrazinyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[6-bromo-3-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[[6-bromo-3-(tosylamino)pyrazin-2-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H29BrN4O5S MolecularWeight: 589.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N=C2OCC3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N=C2OCC3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3)Br

InChI

InChI=1S/C26H29BrN4O5S/c1-17-5-9-21(10-6-17)37(33,34)30-23-24(29-22(27)14-28-23)35-16-18-7-8-19-11-12-31(15-20(19)13-18)25(32)36-26(2,3)4/h5-10,13-14H,11-12,15-16H2,1-4H3,(H,28,30)