phenyl 3-methylsulfanyl-4-(phenylsulfonyl)pyrrole-1-sulfonate

Systemtic Name: phenyl 3-methylsulfanyl-4-(phenylsulfonyl)pyrrole-1-sulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-4-methylsulfanyl-pyrrole-1-sulfonate CAS Name: 3-(benzenesulfonyl)-4-(methylthio)-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-4-methylsulfanylpyrrole-1-sulfonate Traditional Name: 3-besyl-4-(methylthio)pyrrole-1-sulfonic acid phenyl ester Formula: C17H15NO5S3 MolecularWeight: 409.4997

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN(C=C1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CSC1=CN(C=C1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H15NO5S3/c1-24-16-12-18(26(21,22)23-14-8-4-2-5-9-14)13-17(16)25(19,20)15-10-6-3-7-11-15/h2-13H,1H3