N-[1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperidin-4-yl]benzenesulfonamide

Systemtic Name: N-[1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperidin-4-yl]benzenesulfonamide Openeye Name: N-[1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]-4-piperidyl]benzenesulfonamide CAS Name: N-[1-[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]-4-piperidinyl]benzenesulfonamide IUPAC Name: N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]benzenesulfonamide Traditional Name: N-[1-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyl]-4-piperidyl]benzenesulfonamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S2/c1-15-19(16(2)23-21(22-15)29-3)9-10-20(26)25-13-11-17(12-14-25)24-30(27,28)18-7-5-4-6-8-18/h4-8,17,24H,9-14H2,1-3H3