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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: 2-(4-acetylpiperazin-1-yl)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-oxo-acetamide CAS Name: 2-(4-acetyl-1-piperazinyl)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-oxoacetamide IUPAC Name: 2-(4-acetylpiperazin-1-yl)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-oxoacetamide Traditional Name: 2-(4-acetylpiperazino)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-keto-acetamide Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O7S2/c1-14(25)23-6-8-24(9-7-23)21(27)20(26)22-12-18(33(28,29)19-3-2-10-32-19)15-4-5-16-17(11-15)31-13-30-16/h2-5,10-11,18H,6-9,12-13H2,1H3,(H,22,26)