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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CCCC1(C#N)F)N)S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C(C(=O)N1CCCC1(C#N)F)N)S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H21FN4O3S/c1-17(2,15(22)16(24)23-9-3-8-18(23,19)12-21)27(25,26)11-14-6-4-13(10-20)5-7-14/h4-7,15H,3,8-9,11,22H2,1-2H3