methyl 2-[2-chloranyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]ethanoate

Systemtic Name: methyl 2-[2-chloranyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]ethanoate Openeye Name: methyl 2-[2-chloro-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]acetate CAS Name: 2-[2-chloro-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-chloro-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]acetate Traditional Name: 2-[2-chloro-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]acetic acid methyl ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C18H18ClNO5S/c1-24-18(21)12-25-17-7-6-15(10-16(17)19)26(22,23)20-9-8-13-4-2-3-5-14(13)11-20/h2-7,10H,8-9,11-12H2,1H3