tert-butyl 3-[(1R)-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(1R)-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1R)-2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]indole-1-carboxylate CAS Name: 3-[(1R)-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1R)-2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]indole-1-carboxylate Traditional Name: 3-[(1R)-2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]indole-1-carboxylic acid tert-butyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3C4=CC=CC=C4CCN3S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)[C@H]3C4=CC=CC=C4CCN3S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N2O4S/c1-29(2,3)35-28(32)30-19-25(24-15-9-10-16-26(24)30)27-23-14-8-7-13-22(23)17-18-31(27)36(33,34)20-21-11-5-4-6-12-21/h4-16,19,27H,17-18,20H2,1-3H3/t27-/m1/s1