phenyl 3-methylsulfanyl-4-propan-2-ylsulfonyl-pyrrole-1-sulfonate

Systemtic Name: phenyl 3-methylsulfanyl-4-propan-2-ylsulfonyl-pyrrole-1-sulfonate Openeye Name: phenyl 3-isopropylsulfonyl-4-methylsulfanyl-pyrrole-1-sulfonate CAS Name: 3-(methylthio)-4-propan-2-ylsulfonyl-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-methylsulfanyl-4-propan-2-ylsulfonylpyrrole-1-sulfonate Traditional Name: 3-isopropylsulfonyl-4-(methylthio)pyrrole-1-sulfonic acid phenyl ester Formula: C14H17NO5S3 MolecularWeight: 375.48348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CN(C=C1SC)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=C1SC)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H17NO5S3/c1-11(2)22(16,17)14-10-15(9-13(14)21-3)23(18,19)20-12-7-5-4-6-8-12/h4-11H,1-3H3