phenyl 4-methylsulfanyl-1-propyl-pyrrole-3-sulfonate

Systemtic Name: phenyl 4-methylsulfanyl-1-propyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-methylsulfanyl-1-propyl-pyrrole-3-sulfonate CAS Name: 4-(methylthio)-1-propyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-methylsulfanyl-1-propylpyrrole-3-sulfonate Traditional Name: 4-(methylthio)-1-propyl-pyrrole-3-sulfonic acid phenyl ester Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)SC

Isomeric SMILES

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)SC

InChI

InChI=1S/C14H17NO3S2/c1-3-9-15-10-13(19-2)14(11-15)20(16,17)18-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3