1-[5-[(2-chloranyl-3-methylsulfonyl-phenoxy)methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: 1-[5-[(2-chloranyl-3-methylsulfonyl-phenoxy)methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: 1-[5-[(2-chloro-3-methylsulfonyl-phenoxy)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: 1-[[5-[(2-chloro-3-methylsulfonylphenoxy)methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[5-[(2-chloro-3-methylsulfonylphenoxy)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[5-[(2-chloro-3-mesyl-phenoxy)methyl]prolyl]pyrrolidine-2-carbonitrile Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1Cl)OCC2CCC(N2)C(=O)N3CCCC3C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1Cl)OCC2CCC(N2)C(=O)N3CCCC3C#N

InChI

InChI=1S/C18H22ClN3O4S/c1-27(24,25)16-6-2-5-15(17(16)19)26-11-12-7-8-14(21-12)18(23)22-9-3-4-13(22)10-20/h2,5-6,12-14,21H,3-4,7-9,11H2,1H3