4-ethoxy-N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]benzenesulfonamide Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4S/c1-2-28-16-4-6-17(7-5-16)29(26,27)22-11-8-18(25)23-12-14-24(15-13-23)19-20-9-3-10-21-19/h3-7,9-10,22H,2,8,11-15H2,1H3