ethyl 1-[2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-4-yl]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-keto-6-pyrrolidinosulfonyl-1,4-benzoxazin-4-yl)acetyl]isonipecotic acid ethyl ester Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H29N3O7S/c1-2-31-22(28)16-7-11-23(12-8-16)20(26)14-25-18-13-17(5-6-19(18)32-15-21(25)27)33(29,30)24-9-3-4-10-24/h5-6,13,16H,2-4,7-12,14-15H2,1H3