(phenylmethyl) 2-[2-[2-(4-nitrophenyl)sulfinylethanoyl]pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-[2-(4-nitrophenyl)sulfinylethanoyl]pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl 2-[2-[2-(4-nitrophenyl)sulfinylacetyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2-[2-(4-nitrophenyl)sulfinyl-1-oxoethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[2-(4-nitrophenyl)sulfinylacetyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[2-(4-nitrophenyl)sulfinylacetyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H27N3O7S MolecularWeight: 513.56278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)CS(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)CS(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O7S/c29-23(17-36(34)20-12-10-19(11-13-20)28(32)33)21-8-4-14-26(21)24(30)22-9-5-15-27(22)25(31)35-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2