(3-methyl-5-propan-2-yl-phenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate

Systemtic Name: (3-methyl-5-propan-2-yl-phenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate Openeye Name: (3-isopropyl-5-methyl-phenyl) 5-carbamoyl-1-methyl-pyrrole-3-sulfonate CAS Name: 5-carbamoyl-1-methyl-3-pyrrolesulfonic acid (3-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-5-propan-2-ylphenyl) 5-carbamoyl-1-methylpyrrole-3-sulfonate Traditional Name: 5-carbamoyl-1-methyl-pyrrole-3-sulfonic acid (3-isopropyl-5-methyl-phenyl) ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-10(2)12-5-11(3)6-13(7-12)22-23(20,21)14-8-15(16(17)19)18(4)9-14/h5-10H,1-4H3,(H2,17,19)