(phenylmethyl) 2-[2-(6-ethylsulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(6-ethylsulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-(6-esyl-3-keto-1,4-benzoxazin-4-yl)acetyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O7S/c1-2-34(30,31)18-9-10-20-19(13-18)24(22(28)16-32-20)14-21(27)25-11-6-12-26(25)23(29)33-15-17-7-4-3-5-8-17/h3-5,7-10,13H,2,6,11-12,14-16H2,1H3