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

Systemtic Name: phenyl 1-(2-methylpropyl)-4-(phenylsulfonyl)pyrrole-3-sulfonate Openeye Name: phenyl 4-(benzenesulfonyl)-1-isobutyl-pyrrole-3-sulfonate CAS Name: 4-(benzenesulfonyl)-1-(2-methylpropyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfonyl)-1-(2-methylpropyl)pyrrole-3-sulfonate Traditional Name: 4-besyl-1-isobutyl-pyrrole-3-sulfonic acid phenyl ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S2/c1-16(2)13-21-14-19(27(22,23)18-11-7-4-8-12-18)20(15-21)28(24,25)26-17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3