1-[2-azanyl-3-methyl-3-[(4-methylsulfonylphenyl)methylsulfonyl]butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-azanyl-3-methyl-3-[(4-methylsulfonylphenyl)methylsulfonyl]butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-methyl-3-[(4-methylsulfonylphenyl)methylsulfonyl]butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-methyl-3-[(4-methylsulfonylphenyl)methylsulfonyl]-1-oxobutyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-methyl-3-[(4-methylsulfonylphenyl)methylsulfonyl]butanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-(4-mesylbenzyl)sulfonyl-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C18H24FN3O5S2 MolecularWeight: 445.528663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)S(=O)(=O)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)S(=O)(=O)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H24FN3O5S2/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)29(26,27)11-12-4-6-15(7-5-12)28(3,24)25/h4-7,13-14,16H,8,10-11,21H2,1-3H3