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

Systemtic Name: 3,4-dimethyl-N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-3,4-dimethyl-benzenesulfonamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S/c1-15-4-5-17(14-16(15)2)28(26,27)22-9-6-18(25)23-10-12-24(13-11-23)19-20-7-3-8-21-19/h3-5,7-8,14,22H,6,9-13H2,1-2H3