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

Systemtic Name: phenyl 4-methoxy-1-(phenylmethyl)pyrrole-3-sulfonate Openeye Name: phenyl 1-benzyl-4-methoxy-pyrrole-3-sulfonate CAS Name: 4-methoxy-1-(phenylmethyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-benzyl-4-methoxypyrrole-3-sulfonate Traditional Name: 1-benzyl-4-methoxy-pyrrole-3-sulfonic acid phenyl ester Formula: C18H17NO4S MolecularWeight: 343.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H17NO4S/c1-22-17-13-19(12-15-8-4-2-5-9-15)14-18(17)24(20,21)23-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3