7-[[7-[(3-methoxycarbonyl-4-nitro-phenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid

Systemtic Name: 7-[[7-[(3-methoxycarbonyl-4-nitro-phenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Openeye Name: 7-[[7-[(3-methoxycarbonyl-4-nitro-phenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 7-[[[[7-[(3-methoxycarbonyl-4-nitrophenyl)sulfamoyl]-2-naphthalenyl]amino]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 7-[[7-[(3-methoxycarbonyl-4-nitrophenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 7-[[7-[(3-carbomethoxy-4-nitro-phenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid Formula: C29H22N4O10S2 MolecularWeight: 650.63578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)O)C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)O)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C29H22N4O10S2/c1-43-28(34)26-16-23(8-11-27(26)33(36)37)32-44(38,39)24-9-4-17-2-6-21(12-19(17)14-24)30-29(35)31-22-7-3-18-5-10-25(45(40,41)42)15-20(18)13-22/h2-16,32H,1H3,(H2,30,31,35)(H,40,41,42)