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

Systemtic Name: [2-[ethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(N-ethylanilino)-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-(N-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethylanilino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(N-ethylanilino)-2-keto-ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S/c1-2-28(23-12-4-3-5-13-23)25(29)19-33-26(30)21-11-8-14-24(17-21)34(31,32)27-16-15-20-9-6-7-10-22(20)18-27/h3-14,17H,2,15-16,18-19H2,1H3