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

Systemtic Name: phenyl 1-methyl-4-propan-2-ylsulfonyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-isopropylsulfonyl-1-methyl-pyrrole-3-sulfonate CAS Name: 1-methyl-4-propan-2-ylsulfonyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-methyl-4-propan-2-ylsulfonylpyrrole-3-sulfonate Traditional Name: 4-isopropylsulfonyl-1-methyl-pyrrole-3-sulfonic acid phenyl ester Formula: C14H17NO5S2 MolecularWeight: 343.41848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)C

InChI

InChI=1S/C14H17NO5S2/c1-11(2)21(16,17)13-9-15(3)10-14(13)22(18,19)20-12-7-5-4-6-8-12/h4-11H,1-3H3