8-[[3-[(3-aminophenyl)carbonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[3-[(3-aminophenyl)carbonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[3-[(3-aminobenzoyl)amino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[3-[[(3-aminophenyl)-oxomethyl]amino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[3-[(3-aminobenzoyl)amino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[3-[(3-aminobenzoyl)amino]benzyl]sulfonylamino]naphthalene-1,3,5-trisulfonic acid Formula: C24H21N3O12S4 MolecularWeight: 671.69644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)N)CS(=O)(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)N)CS(=O)(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H21N3O12S4/c25-16-5-2-4-15(10-16)24(28)26-17-6-1-3-14(9-17)13-40(29,30)27-20-7-8-21(42(34,35)36)19-11-18(41(31,32)33)12-22(23(19)20)43(37,38)39/h1-12,27H,13,25H2,(H,26,28)(H,31,32,33)(H,34,35,36)(H,37,38,39)