8-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 8-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 8-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 8-[[3-(1-piperazinyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 8-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 8-(3-piperazinopyrrolo[3,2-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC5=C4OCC(=O)N5

Isomeric SMILES

C1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC5=C4OCC(=O)N5

InChI

InChI=1S/C19H19N5O4S/c25-17-12-28-19-13(22-17)3-1-5-16(19)29(26,27)24-11-15(23-9-7-20-8-10-23)18-14(24)4-2-6-21-18/h1-6,11,20H,7-10,12H2,(H,22,25)