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

Systemtic Name: 2-[[7-[(4-methoxyphenyl)sulfonylamino]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-7-[(4-methoxyphenyl)sulfonylamino]isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-7-[(4-methoxyphenyl)sulfonylamino]-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-7-[(4-methoxyphenyl)sulfonylamino]isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-7-[(4-methoxyphenyl)sulfonylamino]isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O

InChI

InChI=1S/C19H17N3O7S/c1-29-13-3-5-14(6-4-13)30(27,28)22-12-2-7-15-11(8-12)9-20-17(18(15)25)19(26)21-10-16(23)24/h2-9,22,25H,10H2,1H3,(H,21,26)(H,23,24)