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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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