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

Systemtic Name: phenyl 4-(phenylsulfonyl)-1-propyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-(benzenesulfonyl)-1-propyl-pyrrole-3-sulfonate CAS Name: 4-(benzenesulfonyl)-1-propyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfonyl)-1-propylpyrrole-3-sulfonate Traditional Name: 4-besyl-1-propyl-pyrrole-3-sulfonic acid phenyl ester Formula: C19H19NO5S2 MolecularWeight: 405.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO5S2/c1-2-13-20-14-18(26(21,22)17-11-7-4-8-12-17)19(15-20)27(23,24)25-16-9-5-3-6-10-16/h3-12,14-15H,2,13H2,1H3