dimethyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzene-1,2-disulfonate

Systemtic Name: dimethyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzene-1,2-disulfonate Openeye Name: dimethyl 4-(p-tolylsulfonylcarbamoylamino)benzene-1,2-disulfonate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzene-1,2-disulfonic acid dimethyl ester IUPAC Name: dimethyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzene-1,2-disulfonate Traditional Name: 4-(tosylcarbamoylamino)benzene-1,2-disulfonic acid dimethyl ester Formula: C16H18N2O9S3 MolecularWeight: 478.51712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=C(C=C2)S(=O)(=O)OC)S(=O)(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=C(C=C2)S(=O)(=O)OC)S(=O)(=O)OC

InChI

InChI=1S/C16H18N2O9S3/c1-11-4-7-13(8-5-11)28(20,21)18-16(19)17-12-6-9-14(29(22,23)26-2)15(10-12)30(24,25)27-3/h4-10H,1-3H3,(H2,17,18,19)