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

Systemtic Name: (phenylmethyl) 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C23H20ClNO4S MolecularWeight: 441.9272

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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=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H20ClNO4S/c24-21-11-10-19(23(26)29-16-17-6-2-1-3-7-17)14-22(21)30(27,28)25-13-12-18-8-4-5-9-20(18)15-25/h1-11,14H,12-13,15-16H2