(4-tert-butylphenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (4-tert-butylphenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-tert-butylbenzyl) ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H29NO4S/c1-27(2,3)24-13-11-20(12-14-24)19-32-26(29)22-9-6-10-25(17-22)33(30,31)28-16-15-21-7-4-5-8-23(21)18-28/h4-14,17H,15-16,18-19H2,1-3H3