1-[2-azanyl-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[2-azanyl-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-(1-isopropylsulfonyl-3-piperidyl)propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-1-oxo-3-(1-propan-2-ylsulfonyl-3-piperidinyl)propyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propanoyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[2-amino-3-(1-isopropylsulfonyl-3-piperidyl)propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C16H28ClFN4O3S MolecularWeight: 410.934923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCCC(C1)CC(C(=O)N2CC(CC2C#N)F)N.Cl

Isomeric SMILES

CC(C)S(=O)(=O)N1CCCC(C1)CC(C(=O)N2CC(CC2C#N)F)N.Cl

InChI

InChI=1S/C16H27FN4O3S.ClH/c1-11(2)25(23,24)20-5-3-4-12(9-20)6-15(19)16(22)21-10-13(17)7-14(21)8-18;/h11-15H,3-7,9-10,19H2,1-2H3;1H