benzenesulfonic acid; 4-fluoranyl-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: benzenesulfonic acid; 4-fluoranyl-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: benzenesulfonic acid; 4-fluoro-1-[2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: benzenesulfonic acid; 4-fluoro-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: benzenesulfonic acid; 4-fluoro-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: besylic acid; 4-fluoro-1-[2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetyl]pyrrolidine-2-carbonitrile Formula: C17H24FN3O5S MolecularWeight: 401.452963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NCC(=O)N1CC(CC1C#N)F.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)(CO)NCC(=O)N1CC(CC1C#N)F.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H18FN3O2.C6H6O3S/c1-11(2,7-16)14-5-10(17)15-6-8(12)3-9(15)4-13;7-10(8,9)6-4-2-1-3-5-6/h8-9,14,16H,3,5-7H2,1-2H3;1-5H,(H,7,8,9)