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

Systemtic Name: 6-chloranyl-7-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[3-(2,4-dimethylphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)C

InChI

InChI=1S/C23H26ClN3O5S/c1-15-3-4-17(16(2)11-15)5-6-23(29)26-7-9-27(10-8-26)33(30,31)21-13-20-19(12-18(21)24)25-22(28)14-32-20/h3-4,11-13H,5-10,14H2,1-2H3,(H,25,28)