5-[3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 5-[3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 5-[3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 5-[[3-[(3S)-3-methyl-1-piperazinyl]-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 5-[3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 5-[3-[(3S)-3-methylpiperazino]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC5=C4NC(=O)CO5

Isomeric SMILES

C[C@H]1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC5=C4NC(=O)CO5

InChI

InChI=1S/C20H21N5O4S/c1-13-10-24(9-8-21-13)15-11-25(14-4-3-7-22-19(14)15)30(27,28)17-6-2-5-16-20(17)23-18(26)12-29-16/h2-7,11,13,21H,8-10,12H2,1H3,(H,23,26)/t13-/m0/s1