2-[8-[cyanomethyl(phenethyl)sulfamoyl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine

Systemtic Name: 2-[8-[cyanomethyl(phenethyl)sulfamoyl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 2-[8-[cyanomethyl(phenethyl)sulfamoyl]-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine CAS Name: 2-[8-[cyanomethyl(phenethyl)sulfamoyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 2-[8-[cyanomethyl(phenethyl)sulfamoyl]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-[8-[cyanomethyl(phenethyl)sulfamoyl]-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C(=CC=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC#N)N=C(N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C(=CC=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC#N)N=C(N)N)O)C

InChI

InChI=1S/C22H27N5O4S/c1-22(2)20(28)18(26-21(24)25)16-9-6-10-17(19(16)31-22)32(29,30)27(14-12-23)13-11-15-7-4-3-5-8-15/h3-10,18,20,28H,11,13-14H2,1-2H3,(H4,24,25,26)