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

Systemtic Name: phenyl 4-(phenylmethyl)-1-propyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-benzyl-1-propyl-pyrrole-3-sulfonate CAS Name: 4-(phenylmethyl)-1-propyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-1-propylpyrrole-3-sulfonate Traditional Name: 4-benzyl-1-propyl-pyrrole-3-sulfonic acid phenyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c1-2-13-21-15-18(14-17-9-5-3-6-10-17)20(16-21)25(22,23)24-19-11-7-4-8-12-19/h3-12,15-16H,2,13-14H2,1H3