phenyl 1-(2-hydroxyphenyl)-4-(phenylmethyl)pyrrole-3-sulfonate

Systemtic Name: phenyl 1-(2-hydroxyphenyl)-4-(phenylmethyl)pyrrole-3-sulfonate Openeye Name: phenyl 4-benzyl-1-(2-hydroxyphenyl)pyrrole-3-sulfonate CAS Name: 1-(2-hydroxyphenyl)-4-(phenylmethyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-1-(2-hydroxyphenyl)pyrrole-3-sulfonate Traditional Name: 4-benzyl-1-(2-hydroxyphenyl)pyrrole-3-sulfonic acid phenyl ester Formula: C23H19NO4S MolecularWeight: 405.46626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C=C2S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C=C2S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C23H19NO4S/c25-22-14-8-7-13-21(22)24-16-19(15-18-9-3-1-4-10-18)23(17-24)29(26,27)28-20-11-5-2-6-12-20/h1-14,16-17,25H,15H2