8-[[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbonylamino]naphthalene-1-sulfonic acid

Systemtic Name: 8-[[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 8-[[3-[(3-aminophenyl)methylsulfonylamino]benzoyl]amino]naphthalene-1-sulfonic acid CAS Name: 8-[[[3-[(3-aminophenyl)methylsulfonylamino]phenyl]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 8-[[3-[(3-aminophenyl)methylsulfonylamino]benzoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 8-[[3-[(3-aminobenzyl)sulfonylamino]benzoyl]amino]naphthalene-1-sulfonic acid Formula: C24H21N3O6S2 MolecularWeight: 511.57004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)CC4=CC(=CC=C4)N)C(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)CC4=CC(=CC=C4)N)C(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C24H21N3O6S2/c25-19-9-1-5-16(13-19)15-34(29,30)27-20-10-2-8-18(14-20)24(28)26-21-11-3-6-17-7-4-12-22(23(17)21)35(31,32)33/h1-14,27H,15,25H2,(H,26,28)(H,31,32,33)