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

Systemtic Name: 1-[2-azanyl-3-methyl-3-[(4-methylphenyl)methylsulfonyl]butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-methyl-3-(p-tolylmethylsulfonyl)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-methyl-3-[(4-methylphenyl)methylsulfonyl]-1-oxobutyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-methyl-3-[(4-methylphenyl)methylsulfonyl]butanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-methyl-3-(4-methylbenzyl)sulfonyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C18H24FN3O3S MolecularWeight: 381.464863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C(C)(C)C(C(=O)N2CC(CC2C#N)F)N

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C(C)(C)C(C(=O)N2CC(CC2C#N)F)N

InChI

InChI=1S/C18H24FN3O3S/c1-12-4-6-13(7-5-12)11-26(24,25)18(2,3)16(21)17(23)22-10-14(19)8-15(22)9-20/h4-7,14-16H,8,10-11,21H2,1-3H3