methyl 2-(3-oxidanylidene-7-piperidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: methyl 2-(3-oxidanylidene-7-piperidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)ethanoate Openeye Name: methyl 2-[3-oxo-7-(1-piperidylsulfonyl)-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[3-oxo-7-(1-piperidinylsulfonyl)-1,4-benzoxazin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-(3-oxo-7-piperidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-7-piperidinosulfonyl-1,4-benzoxazin-4-yl)acetic acid methyl ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)COC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CN1C(=O)COC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H20N2O6S/c1-23-16(20)10-18-13-6-5-12(9-14(13)24-11-15(18)19)25(21,22)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10-11H2,1H3