(phenylmethyl) N-[2-ethoxy-2-(hydroxymethyl)-1-methylsulfonyl-5-oxidanylidene-pyrrolidin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[2-ethoxy-2-(hydroxymethyl)-1-methylsulfonyl-5-oxidanylidene-pyrrolidin-3-yl]carbamate Openeye Name: benzyl N-[2-ethoxy-2-(hydroxymethyl)-1-methylsulfonyl-5-oxo-pyrrolidin-3-yl]carbamate CAS Name: N-[2-ethoxy-2-(hydroxymethyl)-1-methylsulfonyl-5-oxo-3-pyrrolidinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-ethoxy-2-(hydroxymethyl)-1-methylsulfonyl-5-oxopyrrolidin-3-yl]carbamate Traditional Name: N-(2-ethoxy-5-keto-1-mesyl-2-methylol-pyrrolidin-3-yl)carbamic acid benzyl ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C(CC(=O)N1S(=O)(=O)C)NC(=O)OCC2=CC=CC=C2)CO

Isomeric SMILES

CCOC1(C(CC(=O)N1S(=O)(=O)C)NC(=O)OCC2=CC=CC=C2)CO

InChI

InChI=1S/C16H22N2O7S/c1-3-25-16(11-19)13(9-14(20)18(16)26(2,22)23)17-15(21)24-10-12-7-5-4-6-8-12/h4-8,13,19H,3,9-11H2,1-2H3,(H,17,21)