1,3-benzoxazol-2-ylmethyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C24H19ClN2O5S MolecularWeight: 482.93606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5O4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5O4)Cl

InChI

InChI=1S/C24H19ClN2O5S/c25-19-10-9-17(24(28)31-15-23-26-20-7-3-4-8-21(20)32-23)13-22(19)33(29,30)27-12-11-16-5-1-2-6-18(16)14-27/h1-10,13H,11-12,14-15H2