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

Systemtic Name: 2-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-2-oxo-ethoxy]acetate CAS Name: 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-2-oxoethoxy]acetate IUPAC Name: 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-2-oxoethoxy]acetate Traditional Name: 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-2-keto-ethoxy]acetate Formula: C19H19N2O6S- MolecularWeight: 403.42896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)COCC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)COCC(=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c22-18(12-27-13-19(23)24)20-16-5-7-17(8-6-16)28(25,26)21-10-9-14-3-1-2-4-15(14)11-21/h1-8H,9-13H2,(H,20,22)(H,23,24)/p-1