4-methyl-6-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 4-methyl-6-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-methyl-6-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine CAS Name: 4-methyl-6-[[3-(1-piperazinyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-methyl-6-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-methyl-6-(3-piperazinopyrrolo[3,2-b]pyridin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=C(C=C2)S(=O)(=O)N3C=C(C4=C3C=CC=N4)N5CCNCC5

Isomeric SMILES

CN1CCOC2=C1C=C(C=C2)S(=O)(=O)N3C=C(C4=C3C=CC=N4)N5CCNCC5

InChI

InChI=1S/C20H23N5O3S/c1-23-11-12-28-19-5-4-15(13-17(19)23)29(26,27)25-14-18(24-9-7-21-8-10-24)20-16(25)3-2-6-22-20/h2-6,13-14,21H,7-12H2,1H3