7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid

Systemtic Name: 7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Openeye Name: 7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 7-[[[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-2-naphthalenyl]amino]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid Formula: C34H27N3O9S3 MolecularWeight: 717.78788

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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)O)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)O)C=C3

InChI

InChI=1S/C34H27N3O9S3/c1-22-5-13-30(14-6-22)46-49(44,45)33-4-2-3-29(21-33)37-47(39,40)31-15-9-23-7-11-27(17-25(23)19-31)35-34(38)36-28-12-8-24-10-16-32(48(41,42)43)20-26(24)18-28/h2-21,37H,1H3,(H2,35,36,38)(H,41,42,43)