7-[[7-[(4-sulfophenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid

Systemtic Name: 7-[[7-[(4-sulfophenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Openeye Name: 7-[[7-[(4-sulfophenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 7-[[oxo-[[7-[(4-sulfophenyl)sulfamoyl]-2-naphthalenyl]amino]methyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 7-[[7-[(4-sulfophenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 7-[[7-[(4-sulfophenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid Formula: C27H21N3O9S3 MolecularWeight: 627.66534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)O)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)O)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C27H21N3O9S3/c31-27(29-23-6-2-18-4-10-26(42(37,38)39)16-20(18)14-23)28-22-5-1-17-3-9-25(15-19(17)13-22)40(32,33)30-21-7-11-24(12-8-21)41(34,35)36/h1-16,30H,(H2,28,29,31)(H,34,35,36)(H,37,38,39)