(2,4,6-trimethylphenyl) 1-methyl-5-(methylcarbamoyl)pyrrole-3-sulfonate

Systemtic Name: (2,4,6-trimethylphenyl) 1-methyl-5-(methylcarbamoyl)pyrrole-3-sulfonate Openeye Name: (2,4,6-trimethylphenyl) 1-methyl-5-(methylcarbamoyl)pyrrole-3-sulfonate CAS Name: 1-methyl-5-(methylcarbamoyl)-3-pyrrolesulfonic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 1-methyl-5-(methylcarbamoyl)pyrrole-3-sulfonate Traditional Name: 1-methyl-5-(methylcarbamoyl)pyrrole-3-sulfonic acid mesityl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=CN(C(=C2)C(=O)NC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=CN(C(=C2)C(=O)NC)C)C

InChI

InChI=1S/C16H20N2O4S/c1-10-6-11(2)15(12(3)7-10)22-23(20,21)13-8-14(16(19)17-4)18(5)9-13/h6-9H,1-5H3,(H,17,19)