phenyl 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]ethanesulfonic acid phenyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N2O5S/c24-29(25,28-19-4-2-1-3-5-19)15-12-22-8-10-23(11-9-22)17-18-6-7-20-21(16-18)27-14-13-26-20/h1-7,16H,8-15,17H2