methyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC(=O)OC

InChI

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