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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-(4-formylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(4-formyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(4-formylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-(4-formylpiperazino)-2-keto-acetamide Formula: C20H21N3O7S2 MolecularWeight: 479.52664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C=O)C(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O7S2/c24-12-22-5-7-23(8-6-22)20(26)19(25)21-11-17(32(27,28)18-2-1-9-31-18)14-3-4-15-16(10-14)30-13-29-15/h1-4,9-10,12,17H,5-8,11,13H2,(H,21,25)