1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-morpholinosulfonylimidazol-1-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[4-(4-morpholinylsulfonyl)-1-imidazolyl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone Traditional Name: 2-(4-morpholinosulfonylimidazol-1-yl)-1-(4-piperonylpiperazino)ethanone Formula: C21H27N5O6S MolecularWeight: 477.53398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C=C(N=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C=C(N=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C21H27N5O6S/c27-21(14-24-13-20(22-15-24)33(28,29)26-7-9-30-10-8-26)25-5-3-23(4-6-25)12-17-1-2-18-19(11-17)32-16-31-18/h1-2,11,13,15H,3-10,12,14,16H2