3-(hydroxymethyloxy)-5-[(3-methyl-4-oxidanyl-naphthalen-1-yl)sulfonylamino]benzoic acid

Systemtic Name: 3-(hydroxymethyloxy)-5-[(3-methyl-4-oxidanyl-naphthalen-1-yl)sulfonylamino]benzoic acid Openeye Name: 3-(hydroxymethoxy)-5-[(4-hydroxy-3-methyl-1-naphthyl)sulfonylamino]benzoic acid CAS Name: 3-(hydroxymethoxy)-5-[(4-hydroxy-3-methyl-1-naphthalenyl)sulfonylamino]benzoic acid IUPAC Name: 3-(hydroxymethoxy)-5-[(4-hydroxy-3-methylnaphthalen-1-yl)sulfonylamino]benzoic acid Traditional Name: 3-[(4-hydroxy-3-methyl-1-naphthyl)sulfonylamino]-5-methyloloxy-benzoic acid Formula: C19H17NO7S MolecularWeight: 403.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)OCO)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)OCO)O

InChI

InChI=1S/C19H17NO7S/c1-11-6-17(15-4-2-3-5-16(15)18(11)22)28(25,26)20-13-7-12(19(23)24)8-14(9-13)27-10-21/h2-9,20-22H,10H2,1H3,(H,23,24)