5-[2-azanyl-5-[(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-azanyl-5-[(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(p-tolylsulfonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-[(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-[(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(tosylamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C20H20N2O7S3 MolecularWeight: 496.577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)C3=CC(=C(C=C3)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)C3=CC(=C(C=C3)C)S(=O)(=O)O

InChI

InChI=1S/C20H20N2O7S3/c1-13-3-7-16(8-4-13)31(25,26)22-15-6-10-18(21)20(11-15)30(23,24)17-9-5-14(2)19(12-17)32(27,28)29/h3-12,22H,21H2,1-2H3,(H,27,28,29)