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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-(4-formylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-2-(4-formyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-2-(4-formylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-(4-formylpiperazino)-2-keto-acetamide Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C=O)C(=O)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O7S/c26-13-24-6-8-25(9-7-24)21(28)20(27)23-12-19(15-2-1-5-22-11-15)33(29,30)16-3-4-17-18(10-16)32-14-31-17/h1-5,10-11,13,19H,6-9,12,14H2,(H,23,27)