5-[3-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 5-[3-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 5-[3-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 5-[[3-[[(2R)-2-pyrrolidinyl]methyl]-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 5-[3-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 5-[3-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CC2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC5=C4NC(=O)CO5

Isomeric SMILES

C1C[C@@H](NC1)CC2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC5=C4NC(=O)CO5

InChI

InChI=1S/C20H20N4O4S/c25-18-12-28-16-6-1-7-17(20(16)23-18)29(26,27)24-11-13(10-14-4-2-8-21-14)19-15(24)5-3-9-22-19/h1,3,5-7,9,11,14,21H,2,4,8,10,12H2,(H,23,25)/t14-/m1/s1