[(4-methoxyphenyl)methylsulfonyl-(2-methylpropyl)carbamoyl] 2-cyanopyrrolidine-1-carboxylate

Systemtic Name: [(4-methoxyphenyl)methylsulfonyl-(2-methylpropyl)carbamoyl] 2-cyanopyrrolidine-1-carboxylate Openeye Name: [isobutyl-[(4-methoxyphenyl)methylsulfonyl]carbamoyl] 2-cyanopyrrolidine-1-carboxylate CAS Name: 2-cyano-1-pyrrolidinecarboxylic acid [[(4-methoxyphenyl)methylsulfonyl-(2-methylpropyl)amino]-oxomethyl] ester IUPAC Name: [(4-methoxyphenyl)methylsulfonyl-(2-methylpropyl)carbamoyl] 2-cyanopyrrolidine-1-carboxylate Traditional Name: 2-cyanopyrrolidine-1-carboxylic acid [isobutyl(p-anisylsulfonyl)carbamoyl] ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(=O)OC(=O)N1CCCC1C#N)S(=O)(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN(C(=O)OC(=O)N1CCCC1C#N)S(=O)(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25N3O6S/c1-14(2)12-22(19(24)28-18(23)21-10-4-5-16(21)11-20)29(25,26)13-15-6-8-17(27-3)9-7-15/h6-9,14,16H,4-5,10,12-13H2,1-3H3