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

Systemtic Name: phenyl 1-(2-methylpropyl)-4-(phenylmethyl)pyrrole-3-sulfonate Openeye Name: phenyl 4-benzyl-1-isobutyl-pyrrole-3-sulfonate CAS Name: 1-(2-methylpropyl)-4-(phenylmethyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-1-(2-methylpropyl)pyrrole-3-sulfonate Traditional Name: 4-benzyl-1-isobutyl-pyrrole-3-sulfonic acid phenyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S/c1-17(2)14-22-15-19(13-18-9-5-3-6-10-18)21(16-22)26(23,24)25-20-11-7-4-8-12-20/h3-12,15-17H,13-14H2,1-2H3