6-(1,4-diazepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(1,4-diazepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one Openeye Name: 6-(1,4-diazepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one CAS Name: 6-(1,4-diazepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(1,4-diazepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one Traditional Name: 6-(1,4-diazepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C13H17N3O4S/c17-13-9-20-12-3-2-10(8-11(12)15-13)21(18,19)16-6-1-4-14-5-7-16/h2-3,8,14H,1,4-7,9H2,(H,15,17)