tert-butyl 8-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 8-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 8-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 8-[[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 8-[[3-(pivaloylamino)phenyl]sulfamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2CN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2CN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33N3O5S/c1-24(2,3)22(29)26-18-10-8-11-19(15-18)27-34(31,32)21-12-7-9-17-13-14-28(16-20(17)21)23(30)33-25(4,5)6/h7-12,15,27H,13-14,16H2,1-6H3,(H,26,29)