2-[[3-azanyl-4-(4-methylphenyl)sulfonyl-phenyl]sulfonylamino]naphthalene-1-sulfonic acid

Systemtic Name: 2-[[3-azanyl-4-(4-methylphenyl)sulfonyl-phenyl]sulfonylamino]naphthalene-1-sulfonic acid Openeye Name: 2-[[3-amino-4-(p-tolylsulfonyl)phenyl]sulfonylamino]naphthalene-1-sulfonic acid CAS Name: 2-[[3-amino-4-(4-methylphenyl)sulfonylphenyl]sulfonylamino]-1-naphthalenesulfonic acid IUPAC Name: 2-[[3-amino-4-(4-methylphenyl)sulfonylphenyl]sulfonylamino]naphthalene-1-sulfonic acid Traditional Name: 2-[(3-amino-4-tosyl-phenyl)sulfonylamino]naphthalene-1-sulfonic acid Formula: C23H20N2O7S3 MolecularWeight: 532.6091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)N

InChI

InChI=1S/C23H20N2O7S3/c1-15-6-9-17(10-7-15)33(26,27)22-13-11-18(14-20(22)24)34(28,29)25-21-12-8-16-4-2-3-5-19(16)23(21)35(30,31)32/h2-14,25H,24H2,1H3,(H,30,31,32)