4-[3-azanyl-4-(4-methylphenyl)sulfonyl-phenyl]sulfonyloxybenzenesulfonic acid

Systemtic Name: 4-[3-azanyl-4-(4-methylphenyl)sulfonyl-phenyl]sulfonyloxybenzenesulfonic acid Openeye Name: 4-[3-amino-4-(p-tolylsulfonyl)phenyl]sulfonyloxybenzenesulfonic acid CAS Name: 4-[3-amino-4-(4-methylphenyl)sulfonylphenyl]sulfonyloxybenzenesulfonic acid IUPAC Name: 4-[3-amino-4-(4-methylphenyl)sulfonylphenyl]sulfonyloxybenzenesulfonic acid Traditional Name: 4-(3-amino-4-tosyl-phenyl)sulfonyloxybesylic acid Formula: C19H17NO8S3 MolecularWeight: 483.53518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=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)OC3=CC=C(C=C3)S(=O)(=O)O)N

InChI

InChI=1S/C19H17NO8S3/c1-13-2-6-15(7-3-13)29(21,22)19-11-10-17(12-18(19)20)31(26,27)28-14-4-8-16(9-5-14)30(23,24)25/h2-12H,20H2,1H3,(H,23,24,25)