2-[2,2-dimethyl-3-oxidanyl-8-(phenethylsulfamoyl)-3,4-dihydrochromen-4-yl]guanidine

Systemtic Name: 2-[2,2-dimethyl-3-oxidanyl-8-(phenethylsulfamoyl)-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 2-[3-hydroxy-2,2-dimethyl-8-(phenethylsulfamoyl)chroman-4-yl]guanidine CAS Name: 2-[3-hydroxy-2,2-dimethyl-8-(phenethylsulfamoyl)-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 2-[3-hydroxy-2,2-dimethyl-8-(phenethylsulfamoyl)-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-[3-hydroxy-2,2-dimethyl-8-(phenethylsulfamoyl)chroman-4-yl]guanidine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C(=CC=C2)S(=O)(=O)NCCC3=CC=CC=C3)N=C(N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C(=CC=C2)S(=O)(=O)NCCC3=CC=CC=C3)N=C(N)N)O)C

InChI

InChI=1S/C20H26N4O4S/c1-20(2)18(25)16(24-19(21)22)14-9-6-10-15(17(14)28-20)29(26,27)23-12-11-13-7-4-3-5-8-13/h3-10,16,18,23,25H,11-12H2,1-2H3,(H4,21,22,24)