(2-piperidin-1-yl-1-benzofuran-5-yl) 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonate

Systemtic Name: (2-piperidin-1-yl-1-benzofuran-5-yl) 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonate Openeye Name: [2-(1-piperidyl)benzofuran-5-yl] 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonate CAS Name: 4,6,6-trimethyl-1-cyclohexa-1,3-dienesulfonic acid [2-(1-piperidinyl)-5-benzofuranyl] ester IUPAC Name: (2-piperidin-1-yl-1-benzofuran-5-yl) 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonate Traditional Name: 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonic acid (2-piperidinobenzofuran-5-yl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(C1)(C)C)S(=O)(=O)OC2=CC3=C(C=C2)OC(=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C(C1)(C)C)S(=O)(=O)OC2=CC3=C(C=C2)OC(=C3)N4CCCCC4

InChI

InChI=1S/C22H27NO4S/c1-16-7-10-20(22(2,3)15-16)28(24,25)27-18-8-9-19-17(13-18)14-21(26-19)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12,15H2,1-3H3