6-chloranyl-1-[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

Systemtic Name: 6-chloranyl-1-[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-(4-acetylphenyl)sulfonyl-4-piperidyl]-6-chloro-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-(4-acetylphenyl)sulfonyl-4-piperidinyl]-6-chloro-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-6-chloro-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-(4-acetylphenyl)sulfonyl-4-piperidyl]-6-chloro-4H-3,1-benzoxazin-2-one Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(COC3=O)C=C(C=C4)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(COC3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-14(25)15-2-5-19(6-3-15)30(27,28)23-10-8-18(9-11-23)24-20-7-4-17(22)12-16(20)13-29-21(24)26/h2-7,12,18H,8-11,13H2,1H3