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

Systemtic Name: methyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H16ClNO4S MolecularWeight: 365.83124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO4S/c1-23-17(20)13-6-7-15(18)16(10-13)24(21,22)19-9-8-12-4-2-3-5-14(12)11-19/h2-7,10H,8-9,11H2,1H3