N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-2-(4-methyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-keto-2-(4-methylpiperazino)acetamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)C(=O)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O6S/c1-24-7-9-25(10-8-24)21(27)20(26)23-13-19(15-3-2-6-22-12-15)32(28,29)16-4-5-17-18(11-16)31-14-30-17/h2-6,11-12,19H,7-10,13-14H2,1H3,(H,23,26)