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

Systemtic Name: 4-[(E)-3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]-N-propyl-benzenesulfonamide Openeye Name: 4-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]-N-propyl-benzenesulfonamide CAS Name: 4-[(E)-3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]prop-1-enyl]-N-propylbenzenesulfonamide IUPAC Name: 4-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]-N-propylbenzenesulfonamide Traditional Name: 4-[(E)-3-keto-3-[4-(2-pyrimidyl)piperazino]prop-1-enyl]-N-propyl-benzenesulfonamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H25N5O3S/c1-2-10-23-29(27,28)18-7-4-17(5-8-18)6-9-19(26)24-13-15-25(16-14-24)20-21-11-3-12-22-20/h3-9,11-12,23H,2,10,13-16H2,1H3/b9-6+