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

Systemtic Name: N,N-diethyl-4-[(E)-3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[(E)-3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]prop-1-enyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(E)-3-keto-3-[4-(2-pyrimidyl)piperazino]prop-1-enyl]benzenesulfonamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3S/c1-3-26(4-2)30(28,29)19-9-6-18(7-10-19)8-11-20(27)24-14-16-25(17-15-24)21-22-12-5-13-23-21/h5-13H,3-4,14-17H2,1-2H3/b11-8+