2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C18H28N4O5S/c1-20-8-10-21(11-9-20)7-3-6-19-18(23)13-22(28(2,24)25)15-4-5-16-17(12-15)27-14-26-16/h4-5,12H,3,6-11,13-14H2,1-2H3,(H,19,23)