4-azanyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-azanyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 4-amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide; 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid Formula: C33H27N3O9S MolecularWeight: 641.64718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C10H11N3O3S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2-6H,11H2,1H3,(H,12,13)