2-[[5,7-bis[(2-carboxyphenyl)sulfamoyl]naphthalen-2-yl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[5,7-bis[(2-carboxyphenyl)sulfamoyl]naphthalen-2-yl]sulfonylamino]benzoic acid Openeye Name: 2-[[5,7-bis[(2-carboxyphenyl)sulfamoyl]-2-naphthyl]sulfonylamino]benzoic acid CAS Name: 2-[[5,7-bis[(2-carboxyphenyl)sulfamoyl]-2-naphthalenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[5,7-bis[(2-carboxyphenyl)sulfamoyl]naphthalen-2-yl]sulfonylamino]benzoic acid Traditional Name: 2-[[5,7-bis[(2-carboxyphenyl)sulfamoyl]-2-naphthyl]sulfonylamino]benzoic acid Formula: C31H23N3O12S3 MolecularWeight: 725.72222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)NC4=CC=CC=C4C(=O)O)S(=O)(=O)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)NC4=CC=CC=C4C(=O)O)S(=O)(=O)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C31H23N3O12S3/c35-29(36)22-7-1-4-10-25(22)32-47(41,42)19-13-14-21-18(15-19)16-20(48(43,44)33-26-11-5-2-8-23(26)30(37)38)17-28(21)49(45,46)34-27-12-6-3-9-24(27)31(39)40/h1-17,32-34H,(H,35,36)(H,37,38)(H,39,40)