3,4-dimethyl-N-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Traditional Name: N-[4-keto-4-[4-(2-pyrimidyl)piperazino]butyl]-3,4-dimethyl-benzenesulfonamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c1-16-6-7-18(15-17(16)2)29(27,28)23-10-3-5-19(26)24-11-13-25(14-12-24)20-21-8-4-9-22-20/h4,6-9,15,23H,3,5,10-14H2,1-2H3