4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Openeye Name: 4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]amino]-N-(3-morpholinopropyl)benzenesulfonamide CAS Name: 4-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-N-[3-(4-morpholinyl)propyl]benzenesulfonamide IUPAC Name: 4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Traditional Name: 4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]amino]-N-(3-morpholinopropyl)benzenesulfonamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNS(=O)(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1CCCNS(=O)(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N5O5S/c30-35(31,26-9-1-11-29-12-14-32-15-13-29)20-5-3-19(4-6-20)27-24-25-10-8-21(28-24)18-2-7-22-23(16-18)34-17-33-22/h2-8,10,16,26H,1,9,11-15,17H2,(H,25,27,28)