2-bromanyl-N-(5-morpholin-4-ylpyridin-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-(5-morpholin-4-ylpyridin-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-(5-morpholino-2-pyridyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[5-(4-morpholinyl)-2-pyridinyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-(5-morpholin-4-ylpyridin-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-(5-morpholino-2-pyridyl)-5-pyrrolidinosulfonyl-benzamide Formula: C20H23BrN4O4S MolecularWeight: 495.39002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=NC=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=NC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H23BrN4O4S/c21-18-5-4-16(30(27,28)25-7-1-2-8-25)13-17(18)20(26)23-19-6-3-15(14-22-19)24-9-11-29-12-10-24/h3-6,13-14H,1-2,7-12H2,(H,22,23,26)