8-[(3-benzamido-4-methyl-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[(3-benzamido-4-methyl-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(3-benzamido-4-methyl-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[(3-benzamido-4-methylphenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(3-benzamido-4-methylbenzoyl)amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(3-benzamido-4-methyl-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid Formula: C25H20N2O11S3 MolecularWeight: 620.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O11S3/c1-14-7-8-16(11-20(14)27-24(28)15-5-3-2-4-6-15)25(29)26-19-9-10-21(40(33,34)35)18-12-17(39(30,31)32)13-22(23(18)19)41(36,37)38/h2-13H,1H3,(H,26,29)(H,27,28)(H,30,31,32)(H,33,34,35)(H,36,37,38)