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

Systemtic Name: 8-[[3-[(3-aminophenyl)carbonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(3-aminobenzoyl)amino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[3-[[(3-aminophenyl)-oxomethyl]amino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(3-aminobenzoyl)amino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(3-aminobenzoyl)amino]benzyl]sulfonylamino]naphthalene-1,3,6-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(=C3)S(=O)(=O)O)C=C(C=C4S(=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(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

InChI

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