phenyl 1-(2-methylpropyl)-4-methylsulfanyl-pyrrole-3-sulfonate

Systemtic Name: phenyl 1-(2-methylpropyl)-4-methylsulfanyl-pyrrole-3-sulfonate Openeye Name: phenyl 1-isobutyl-4-methylsulfanyl-pyrrole-3-sulfonate CAS Name: 1-(2-methylpropyl)-4-(methylthio)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-(2-methylpropyl)-4-methylsulfanylpyrrole-3-sulfonate Traditional Name: 1-isobutyl-4-(methylthio)pyrrole-3-sulfonic acid phenyl ester Formula: C15H19NO3S2 MolecularWeight: 325.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)SC

Isomeric SMILES

CC(C)CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)SC

InChI

InChI=1S/C15H19NO3S2/c1-12(2)9-16-10-14(20-3)15(11-16)21(17,18)19-13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3