1-cyano-3-[4-(cyclododecylamino)pyridin-3-yl]sulfonyl-2-propan-2-yl-guanidine

Systemtic Name: 1-cyano-3-[4-(cyclododecylamino)pyridin-3-yl]sulfonyl-2-propan-2-yl-guanidine Openeye Name: 1-cyano-3-[[4-(cyclododecylamino)-3-pyridyl]sulfonyl]-2-isopropyl-guanidine CAS Name: 1-cyano-3-[[4-(cyclododecylamino)-3-pyridinyl]sulfonyl]-2-propan-2-ylguanidine IUPAC Name: 1-cyano-3-[4-(cyclododecylamino)pyridin-3-yl]sulfonyl-2-propan-2-ylguanidine Traditional Name: 1-cyano-3-[[4-(cyclododecylamino)-3-pyridyl]sulfonyl]-2-isopropyl-guanidine Formula: C22H36N6O2S MolecularWeight: 448.62524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2CCCCCCCCCCC2

Isomeric SMILES

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2CCCCCCCCCCC2

InChI

InChI=1S/C22H36N6O2S/c1-18(2)26-22(25-17-23)28-31(29,30)21-16-24-15-14-20(21)27-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,18-19H,3-13H2,1-2H3,(H,24,27)(H2,25,26,28)