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

Systemtic Name: 1-[2-azanyl-3-[(4-cyanophenyl)methylsulfonyl]-3-methyl-butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-[(4-cyanophenyl)methylsulfonyl]-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-[(4-cyanophenyl)methylsulfonyl]-3-methyl-1-oxobutyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-[(4-cyanophenyl)methylsulfonyl]-3-methylbutanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-(4-cyanobenzyl)sulfonyl-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C18H21FN4O3S MolecularWeight: 392.447743

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN4O3S/c1-18(2,16(22)17(24)23-10-14(19)7-15(23)9-21)27(25,26)11-13-5-3-12(8-20)4-6-13/h3-6,14-16H,7,10-11,22H2,1-2H3