(2S)-1-[(2S,5R)-5-[(4-bromanyl-3-methylsulfonyl-phenoxy)methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S,5R)-5-[(4-bromanyl-3-methylsulfonyl-phenoxy)methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S,5R)-5-[(4-bromo-3-methylsulfonyl-phenoxy)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[[(2S,5R)-5-[(4-bromo-3-methylsulfonylphenoxy)methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S,5R)-5-[(4-bromo-3-methylsulfonylphenoxy)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S,5R)-5-[(4-bromo-3-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=C(C=CC(=C1)OCC2CCC(N2)C(=O)N3CCCC3C#N)Br

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3C#N)Br

InChI

InChI=1S/C18H22BrN3O4S/c1-27(24,25)17-9-14(5-6-15(17)19)26-11-12-4-7-16(21-12)18(23)22-8-2-3-13(22)10-20/h5-6,9,12-13,16,21H,2-4,7-8,11H2,1H3/t12-,13+,16+/m1/s1