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

Systemtic Name: phenyl 1-phenyl-4-(phenylmethyl)pyrrole-3-sulfonate Openeye Name: phenyl 4-benzyl-1-phenyl-pyrrole-3-sulfonate CAS Name: 1-phenyl-4-(phenylmethyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-1-phenylpyrrole-3-sulfonate Traditional Name: 4-benzyl-1-phenyl-pyrrole-3-sulfonic acid phenyl ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C=C2S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C=C2S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19NO3S/c25-28(26,27-22-14-8-3-9-15-22)23-18-24(21-12-6-2-7-13-21)17-20(23)16-19-10-4-1-5-11-19/h1-15,17-18H,16H2