1-[1-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

Systemtic Name: 1-[1-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4COC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4COC3=O

InChI

InChI=1S/C20H21BrN2O5S/c1-27-18-7-6-15(21)12-19(18)29(25,26)22-10-8-16(9-11-22)23-17-5-3-2-4-14(17)13-28-20(23)24/h2-7,12,16H,8-11,13H2,1H3