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

Systemtic Name: N-methyl-4-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: N-methyl-4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: N-methyl-4-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: N-methyl-4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 4-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-N-methyl-benzenesulfonamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3S/c1-19-27(25,26)16-6-3-15(4-7-16)5-8-17(24)22-11-13-23(14-12-22)18-20-9-2-10-21-18/h2-4,6-7,9-10,19H,5,8,11-14H2,1H3