(4-methylphenyl) 3-[[7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalen-2-yl]sulfonylamino]benzenesulfonate

Systemtic Name: (4-methylphenyl) 3-[[7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalen-2-yl]sulfonylamino]benzenesulfonate Openeye Name: p-tolyl 3-[[7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-2-naphthyl]carbamoylamino]-2-naphthyl]sulfonylamino]benzenesulfonate CAS Name: 3-[[7-[[[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-2-naphthalenyl]amino]-oxomethyl]amino]-2-naphthalenyl]sulfonylamino]benzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-[[7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalen-2-yl]sulfonylamino]benzenesulfonate Traditional Name: 3-[[7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-2-naphthyl]carbamoylamino]-2-naphthyl]sulfonylamino]benzenesulfonic acid p-tolyl ester Formula: C47H38N4O11S4 MolecularWeight: 963.08482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC4=C(C=CC(=C4)NC(=O)NC5=CC6=C(C=C5)C=CC(=C6)S(=O)(=O)NC7=CC(=CC=C7)S(=O)(=O)OC8=CC=C(C=C8)C)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC4=C(C=CC(=C4)NC(=O)NC5=CC6=C(C=C5)C=CC(=C6)S(=O)(=O)NC7=CC(=CC=C7)S(=O)(=O)OC8=CC=C(C=C8)C)C=C3

InChI

InChI=1S/C47H38N4O11S4/c1-31-9-19-41(20-10-31)61-65(57,58)45-7-3-5-39(29-45)50-63(53,54)43-23-15-33-13-17-37(25-35(33)27-43)48-47(52)49-38-18-14-34-16-24-44(28-36(34)26-38)64(55,56)51-40-6-4-8-46(30-40)66(59,60)62-42-21-11-32(2)12-22-42/h3-30,50-51H,1-2H3,(H2,48,49,52)