1-[5-[(2-bromanyl-4-methylsulfonyl-phenoxy)methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: 1-[5-[(2-bromanyl-4-methylsulfonyl-phenoxy)methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: 1-[5-[(2-bromo-4-methylsulfonyl-phenoxy)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: 1-[[5-[(2-bromo-4-methylsulfonylphenoxy)methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[5-[(2-bromo-4-methylsulfonylphenoxy)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[5-[(2-bromo-4-mesyl-phenoxy)methyl]prolyl]pyrrolidine-2-carbonitrile Formula: C18H22BrN3O4S MolecularWeight: 456.35398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O4S/c1-27(24,25)14-5-7-17(15(19)9-14)26-11-12-4-6-16(21-12)18(23)22-8-2-3-13(22)10-20/h5,7,9,12-13,16,21H,2-4,6,8,11H2,1H3