3-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: 3-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 3-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-isobutyl-benzenesulfonamide CAS Name: 3-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 3-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 3-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-isobutyl-benzenesulfonamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=CC(=C1)NC2=NC=CC(=N2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=CC(=C1)NC2=NC=CC(=N2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S2/c1-15(2)14-24-30(27,28)18-8-5-7-17(13-18)25-22-23-11-10-19(26-22)21-12-16-6-3-4-9-20(16)29-21/h3-13,15,24H,14H2,1-2H3,(H,23,25,26)