tert-butyl 3-[(4-sulfamoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[(4-sulfamoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[(4-sulfamoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-(4-sulfamoylanilino)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-sulfamoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(4-sulfamoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H25N3O5S/c1-21(2,3)29-20(26)24-13-15-7-5-4-6-14(15)12-18(24)19(25)23-16-8-10-17(11-9-16)30(22,27)28/h4-11,18H,12-13H2,1-3H3,(H,23,25)(H2,22,27,28)