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

Systemtic Name: 5-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[3-(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(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)O

Isomeric SMILES

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

InChI

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