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

Systemtic Name: 6-chloranyl-1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 6-chloro-1-[1-(2,4-dimethylphenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 6-chloro-1-[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 6-chloro-1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 6-chloro-1-[1-(2,4-dimethylphenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(COC3=O)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(COC3=O)C=C(C=C4)Cl)C

InChI

InChI=1S/C21H23ClN2O4S/c1-14-3-6-20(15(2)11-14)29(26,27)23-9-7-18(8-10-23)24-19-5-4-17(22)12-16(19)13-28-21(24)25/h3-6,11-12,18H,7-10,13H2,1-2H3