phenyl 4-ethoxy-1-(2-methylpropyl)pyrrole-3-sulfonate

Systemtic Name: phenyl 4-ethoxy-1-(2-methylpropyl)pyrrole-3-sulfonate Openeye Name: phenyl 4-ethoxy-1-isobutyl-pyrrole-3-sulfonate CAS Name: 4-ethoxy-1-(2-methylpropyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-ethoxy-1-(2-methylpropyl)pyrrole-3-sulfonate Traditional Name: 4-ethoxy-1-isobutyl-pyrrole-3-sulfonic acid phenyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)CC(C)C

Isomeric SMILES

CCOC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)CC(C)C

InChI

InChI=1S/C16H21NO4S/c1-4-20-15-11-17(10-13(2)3)12-16(15)22(18,19)21-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3