2-[(5S)-5-azanyl-6-(2-cyanopyrrolidin-1-yl)-6-oxidanylidene-hexyl]-1-methylsulfonyl-guanidine

Systemtic Name: 2-[(5S)-5-azanyl-6-(2-cyanopyrrolidin-1-yl)-6-oxidanylidene-hexyl]-1-methylsulfonyl-guanidine Openeye Name: 2-[(5S)-5-amino-6-(2-cyanopyrrolidin-1-yl)-6-oxo-hexyl]-1-methylsulfonyl-guanidine CAS Name: 2-[(5S)-5-amino-6-(2-cyano-1-pyrrolidinyl)-6-oxohexyl]-1-methylsulfonylguanidine IUPAC Name: 2-[(5S)-5-amino-6-(2-cyanopyrrolidin-1-yl)-6-oxohexyl]-1-methylsulfonylguanidine Traditional Name: 2-[(5S)-5-amino-6-(2-cyanopyrrolidino)-6-keto-hexyl]-1-mesyl-guanidine Formula: C13H24N6O3S MolecularWeight: 344.43306

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=NCCCCC(C(=O)N1CCCC1C#N)N)N

Isomeric SMILES

CS(=O)(=O)NC(=NCCCC[C@@H](C(=O)N1CCCC1C#N)N)N

InChI

InChI=1S/C13H24N6O3S/c1-23(21,22)18-13(16)17-7-3-2-6-11(15)12(20)19-8-4-5-10(19)9-14/h10-11H,2-8,15H2,1H3,(H3,16,17,18)/t10?,11-/m0/s1