2-[[7-[4-[(4-methylphenyl)sulfonylamino]phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[7-[4-[(4-methylphenyl)sulfonylamino]phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-7-[4-(p-tolylsulfonylamino)phenoxy]isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-7-[4-[(4-methylphenyl)sulfonylamino]phenoxy]-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-7-[4-[(4-methylphenyl)sulfonylamino]phenoxy]isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-7-[4-(tosylamino)phenoxy]isoquinoline-3-carbonyl]amino]acetic acid Formula: C25H21N3O7S MolecularWeight: 507.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC4=CN=C(C(=C4C=C3)O)C(=O)NCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC4=CN=C(C(=C4C=C3)O)C(=O)NCC(=O)O

InChI

InChI=1S/C25H21N3O7S/c1-15-2-9-20(10-3-15)36(33,34)28-17-4-6-18(7-5-17)35-19-8-11-21-16(12-19)13-26-23(24(21)31)25(32)27-14-22(29)30/h2-13,28,31H,14H2,1H3,(H,27,32)(H,29,30)