[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl] morpholine-4-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl] morpholine-4-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-3-methylsulfonyl-propyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methylsulfonyl-1-oxobutan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methylsulfonyl-1-oxobutan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]-3-mesyl-propyl] ester Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)N2CCOCC2

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)N2CCOCC2

InChI

InChI=1S/C20H27N3O7S/c1-31(26,27)12-7-18(30-20(25)23-8-10-28-11-9-23)19(24)22-17(13-21)15-29-14-16-5-3-2-4-6-16/h2-6,17-18H,7-12,14-15H2,1H3,(H,22,24)