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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-(4-ethylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(4-ethyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-(4-ethylpiperazino)-2-keto-acetamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O6S2/c1-2-23-7-9-24(10-8-23)21(26)20(25)22-13-18(32(27,28)19-4-3-11-31-19)15-5-6-16-17(12-15)30-14-29-16/h3-6,11-12,18H,2,7-10,13-14H2,1H3,(H,22,25)