[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 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 [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 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 [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C25H22ClNO6S MolecularWeight: 499.96328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C25H22ClNO6S/c1-32-20-8-4-7-18(13-20)24(28)16-33-25(29)22-14-21(9-10-23(22)26)34(30,31)27-12-11-17-5-2-3-6-19(17)15-27/h2-10,13-14H,11-12,15-16H2,1H3