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

Systemtic Name: 2-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-2-keto-ethyl]thio]acetic acid Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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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)CSCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CSCC(=O)O

InChI

InChI=1S/C19H20N2O5S2/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)