propan-2-yl 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: propan-2-yl 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: isopropyl 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid isopropyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C19H20ClNO4S/c1-13(2)25-19(22)17-11-16(7-8-18(17)20)26(23,24)21-10-9-14-5-3-4-6-15(14)12-21/h3-8,11,13H,9-10,12H2,1-2H3