3,4-diethoxy-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 3,4-diethoxy-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Openeye Name: 3,4-diethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: 3,4-diethoxy-N-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: 3,4-diethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Traditional Name: 3,4-diethoxy-N-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]benzenesulfonamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

InChI

InChI=1S/C20H27N5O5S/c1-3-29-17-7-6-16(14-18(17)30-4-2)31(27,28)23-15-19(26)24-10-12-25(13-11-24)20-21-8-5-9-22-20/h5-9,14,23H,3-4,10-13,15H2,1-2H3