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

Systemtic Name: 8-[3-(2-azanylethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 8-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 8-[[3-(2-aminoethyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 8-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 8-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC=N4)CCN

Isomeric SMILES

C1C(=O)NC2=C(O1)C(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC=N4)CCN

InChI

InChI=1S/C17H16N4O4S/c18-7-6-11-9-21(13-4-2-8-19-16(11)13)26(23,24)14-5-1-3-12-17(14)25-10-15(22)20-12/h1-5,8-9H,6-7,10,18H2,(H,20,22)