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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(4-methyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-keto-2-(4-methylpiperazino)acetamide Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1CCN(CC1)C(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O6S2/c1-22-6-8-23(9-7-22)20(25)19(24)21-12-17(31(26,27)18-3-2-10-30-18)14-4-5-15-16(11-14)29-13-28-15/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,21,24)