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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O4S/c1-27(24,25)17-9-12(19)4-7-16(17)26-11-13-5-6-15(21-13)18(23)22-8-2-3-14(22)10-20/h4,7,9,13-15,21H,2-3,5-6,8,11H2,1H3