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

Systemtic Name: phenyl 1-methyl-4-(phenylmethyl)pyrrole-3-sulfonate Openeye Name: phenyl 4-benzyl-1-methyl-pyrrole-3-sulfonate CAS Name: 1-methyl-4-(phenylmethyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-1-methylpyrrole-3-sulfonate Traditional Name: 4-benzyl-1-methyl-pyrrole-3-sulfonic acid phenyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H17NO3S/c1-19-13-16(12-15-8-4-2-5-9-15)18(14-19)23(20,21)22-17-10-6-3-7-11-17/h2-11,13-14H,12H2,1H3