[bis-(4-methylphenyl)sulfonylamino] 4-methylbenzenesulfonate

Systemtic Name: [bis-(4-methylphenyl)sulfonylamino] 4-methylbenzenesulfonate Openeye Name: [bis(p-tolylsulfonyl)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [bis-(4-methylphenyl)sulfonylamino] ester IUPAC Name: [bis-(4-methylphenyl)sulfonylamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (ditosylamino) ester Formula: C21H21NO7S3 MolecularWeight: 495.58894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7S3/c1-16-4-10-19(11-5-16)30(23,24)22(31(25,26)20-12-6-17(2)7-13-20)29-32(27,28)21-14-8-18(3)9-15-21/h4-15H,1-3H3