6-chloranyl-7-[4-(2-methylprop-2-enyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[4-(2-methylprop-2-enyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(2-methylallyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-(2-methylprop-2-enyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(2-methylprop-2-enyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-(2-methylallyl)piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C16H20ClN3O4S MolecularWeight: 385.8657

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CC(=C)CN1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C16H20ClN3O4S/c1-11(2)9-19-3-5-20(6-4-19)25(22,23)15-8-14-13(7-12(15)17)18-16(21)10-24-14/h7-8H,1,3-6,9-10H2,2H3,(H,18,21)