ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]ethanoate Openeye Name: ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]acetate CAS Name: 2-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]acetate Traditional Name: 2-[4-(4-piperonylpiperazino)sulfonylphenoxy]acetic acid ethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O7S/c1-2-28-22(25)15-29-18-4-6-19(7-5-18)32(26,27)24-11-9-23(10-12-24)14-17-3-8-20-21(13-17)31-16-30-20/h3-8,13H,2,9-12,14-16H2,1H3