1-[2-azanyl-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propanoyl]-2-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[2-azanyl-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propanoyl]-2-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-(1-isopropylsulfonyl-3-piperidyl)propanoyl]-2-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-1-oxo-3-(1-propan-2-ylsulfonyl-3-piperidinyl)propyl]-2-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propanoyl]-2-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[2-amino-3-(1-isopropylsulfonyl-3-piperidyl)propanoyl]-2-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C16H28ClFN4O3S MolecularWeight: 410.934923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCCC(C1)CC(C(=O)N2CCCC2(C#N)F)N.Cl

Isomeric SMILES

CC(C)S(=O)(=O)N1CCCC(C1)CC(C(=O)N2CCCC2(C#N)F)N.Cl

InChI

InChI=1S/C16H27FN4O3S.ClH/c1-12(2)25(23,24)20-7-3-5-13(10-20)9-14(19)15(22)21-8-4-6-16(21,17)11-18;/h12-14H,3-10,19H2,1-2H3;1H