6-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[ethyl-[(1-methylsulfonyl-4-piperidyl)methyl]amino]propyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[ethyl-[(1-methylsulfonyl-4-piperidinyl)methyl]amino]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[ethyl-[(1-mesyl-4-piperidyl)methyl]amino]propyl]-4H-1,4-benzoxazin-3-one Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)S(=O)(=O)C)C(C)CC2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCN(CC1CCN(CC1)S(=O)(=O)C)C(C)CC2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C20H31N3O4S/c1-4-22(13-16-7-9-23(10-8-16)28(3,25)26)15(2)11-17-5-6-19-18(12-17)21-20(24)14-27-19/h5-6,12,15-16H,4,7-11,13-14H2,1-3H3,(H,21,24)