4-azanyl-N-(2-methylsulfanyl-5-piperidin-1-yl-pyrimidin-4-yl)benzenesulfonamide

Systemtic Name: 4-azanyl-N-(2-methylsulfanyl-5-piperidin-1-yl-pyrimidin-4-yl)benzenesulfonamide Openeye Name: 4-amino-N-[2-methylsulfanyl-5-(1-piperidyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-amino-N-[2-(methylthio)-5-(1-piperidinyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-amino-N-(2-methylsulfanyl-5-piperidin-1-ylpyrimidin-4-yl)benzenesulfonamide Traditional Name: 4-amino-N-[2-(methylthio)-5-piperidino-pyrimidin-4-yl]benzenesulfonamide Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)N3CCCCC3

Isomeric SMILES

CSC1=NC=C(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)N3CCCCC3

InChI

InChI=1S/C16H21N5O2S2/c1-24-16-18-11-14(21-9-3-2-4-10-21)15(19-16)20-25(22,23)13-7-5-12(17)6-8-13/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,19,20)