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

Systemtic Name: 1-[2-azanyl-3-[(4-fluorophenyl)methylsulfonyl]-3-methyl-butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-[(4-fluorophenyl)methylsulfonyl]-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-oxobutyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-[(4-fluorophenyl)methylsulfonyl]-3-methylbutanoyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[2-amino-3-(4-fluorobenzyl)sulfonyl-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C17H22ClF2N3O3S MolecularWeight: 421.889686

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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)F.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H21F2N3O3S.ClH/c1-17(2,26(24,25)10-11-3-5-12(18)6-4-11)15(21)16(23)22-9-13(19)7-14(22)8-20;/h3-6,13-15H,7,9-10,21H2,1-2H3;1H