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

Systemtic Name: phenyl 1-phenyl-4-propan-2-ylsulfonyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-isopropylsulfonyl-1-phenyl-pyrrole-3-sulfonate CAS Name: 1-phenyl-4-propan-2-ylsulfonyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-phenyl-4-propan-2-ylsulfonylpyrrole-3-sulfonate Traditional Name: 4-isopropylsulfonyl-1-phenyl-pyrrole-3-sulfonic acid phenyl ester Formula: C19H19NO5S2 MolecularWeight: 405.48786

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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)C3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO5S2/c1-15(2)26(21,22)18-13-20(16-9-5-3-6-10-16)14-19(18)27(23,24)25-17-11-7-4-8-12-17/h3-15H,1-2H3