5-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)O

InChI

InChI=1S/C25H24N2O6S/c1-33-23-11-6-17(14-22(23)25(29)30)15-26-24(28)19-7-9-21(10-8-19)34(31,32)27-13-12-18-4-2-3-5-20(18)16-27/h2-11,14H,12-13,15-16H2,1H3,(H,26,28)(H,29,30)