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

Systemtic Name: 6-chloranyl-7-[4-[2-(2-methoxyphenyl)ethanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[2-(2-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-[2-(2-methoxyphenyl)acetyl]piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

COC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C21H22ClN3O6S/c1-30-17-5-3-2-4-14(17)10-21(27)24-6-8-25(9-7-24)32(28,29)19-12-18-16(11-15(19)22)23-20(26)13-31-18/h2-5,11-12H,6-10,13H2,1H3,(H,23,26)