8-[[3-[(3-aminophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[3-[(3-aminophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(3-aminophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[3-[(3-aminophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(3-aminophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(3-aminobenzyl)sulfonylamino]benzyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Formula: C24H23N3O13S5 MolecularWeight: 721.77672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CS(=O)(=O)NC2=CC=CC(=C2)CS(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)CS(=O)(=O)NC2=CC=CC(=C2)CS(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H23N3O13S5/c25-18-5-1-3-15(7-18)13-41(28,29)26-19-6-2-4-16(8-19)14-42(30,31)27-22-11-20(43(32,33)34)9-17-10-21(44(35,36)37)12-23(24(17)22)45(38,39)40/h1-12,26-27H,13-14,25H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)