1-(1,3-benzodioxol-5-ylmethyl)-4-(4-butoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-butoxyphenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-butoxyphenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-butoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-butoxyphenyl)sulfonylpiperazine Traditional Name: 1-(4-butoxyphenyl)sulfonyl-4-piperonyl-piperazine Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N2O5S/c1-2-3-14-27-19-5-7-20(8-6-19)30(25,26)24-12-10-23(11-13-24)16-18-4-9-21-22(15-18)29-17-28-21/h4-9,15H,2-3,10-14,16-17H2,1H3