8-[[3-[(5-azanyl-2-methyl-phenyl)sulfonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[3-[(5-azanyl-2-methyl-phenyl)sulfonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[3-[(5-amino-2-methyl-phenyl)sulfonylamino]-4-methyl-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[3-[(5-amino-2-methylphenyl)sulfonylamino]-4-methylphenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[3-[(5-amino-2-methylphenyl)sulfonylamino]-4-methylbenzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[3-[(5-amino-2-methyl-phenyl)sulfonylamino]-4-methyl-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C25H23N3O12S4 MolecularWeight: 685.72302

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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)NS(=O)(=O)C4=C(C=CC(=C4)N)C

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)NS(=O)(=O)C4=C(C=CC(=C4)N)C

InChI

InChI=1S/C25H23N3O12S4/c1-13-3-5-15(9-20(13)28-41(30,31)22-10-16(26)6-4-14(22)2)25(29)27-19-7-8-21(43(35,36)37)18-11-17(42(32,33)34)12-23(24(18)19)44(38,39)40/h3-12,28H,26H2,1-2H3,(H,27,29)(H,32,33,34)(H,35,36,37)(H,38,39,40)