6-chloranyl-7-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[[4-(2,4-dimethylbenzoyl)-1-piperidyl]sulfonyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-(2,4-dimethylbenzoyl)piperidino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)C

InChI

InChI=1S/C22H23ClN2O5S/c1-13-3-4-16(14(2)9-13)22(27)15-5-7-25(8-6-15)31(28,29)20-11-19-18(10-17(20)23)24-21(26)12-30-19/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,24,26)