(E)-2-(4-methylphenyl)-N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CS(=O)(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H25N5O3S/c1-17-3-5-18(6-4-17)8-16-29(27,28)23-11-7-19(26)24-12-14-25(15-13-24)20-21-9-2-10-22-20/h2-6,8-10,16,23H,7,11-15H2,1H3/b16-8+