[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[2-furanylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[2-furfuryl(methyl)amino]-2-keto-ethyl] ester Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H24N2O6S/c1-25(16-21-9-5-13-31-21)23(27)17-32-24(28)19-8-4-10-22(14-19)33(29,30)26-12-11-18-6-2-3-7-20(18)15-26/h2-10,13-14H,11-12,15-17H2,1H3