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

Systemtic Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-4-keto-butyric acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c22-18(9-10-19(23)24)20-16-5-7-17(8-6-16)27(25,26)21-12-11-14-3-1-2-4-15(14)13-21/h1-8H,9-13H2,(H,20,22)(H,23,24)