phenyl 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazino]ethanesulfonic acid phenyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H26N2O4S/c24-28(25,27-20-4-2-1-3-5-20)15-13-22-9-11-23(12-10-22)17-18-6-7-21-19(16-18)8-14-26-21/h1-7,16H,8-15,17H2