7-[[7-[(4-methoxycarbonylphenyl)sulfamoyl]-5-oxidanyl-naphthalen-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[7-[(4-methoxycarbonylphenyl)sulfamoyl]-5-oxidanyl-naphthalen-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[[5-hydroxy-7-[(4-methoxycarbonylphenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[[[[5-hydroxy-7-[(4-methoxycarbonylphenyl)sulfamoyl]-2-naphthalenyl]amino]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[[5-hydroxy-7-[(4-methoxycarbonylphenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 7-[[7-[(4-carbomethoxyphenyl)sulfamoyl]-5-hydroxy-2-naphthyl]carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C29H23N3O10S2 MolecularWeight: 637.63702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C3C=CC(=CC3=C2)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C3C=CC(=CC3=C2)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)O

InChI

InChI=1S/C29H23N3O10S2/c1-42-28(35)16-2-4-19(5-3-16)32-43(37,38)22-12-17-10-20(6-8-24(17)26(33)14-22)30-29(36)31-21-7-9-25-18(11-21)13-23(15-27(25)34)44(39,40)41/h2-15,32-34H,1H3,(H2,30,31,36)(H,39,40,41)