phenyl 3,4-bis(phenylmethyl)pyrrole-1-sulfonate

Systemtic Name: phenyl 3,4-bis(phenylmethyl)pyrrole-1-sulfonate Openeye Name: phenyl 3,4-dibenzylpyrrole-1-sulfonate CAS Name: 3,4-bis(phenylmethyl)-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3,4-dibenzylpyrrole-1-sulfonate Traditional Name: 3,4-dibenzylpyrrole-1-sulfonic acid phenyl ester Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C=C2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C=C2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H21NO3S/c26-29(27,28-24-14-8-3-9-15-24)25-18-22(16-20-10-4-1-5-11-20)23(19-25)17-21-12-6-2-7-13-21/h1-15,18-19H,16-17H2