7-[3-(2-azanylethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[3-(2-azanylethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 7-[[3-(2-aminoethyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 7-[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=C(C=C2)S(=O)(=O)N3C=C(C4=C3C=CC=N4)CCN

Isomeric SMILES

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

InChI

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