[4-(tert-butylsulfamoyl)phenyl]carbonyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: [4-(tert-butylsulfamoyl)phenyl]carbonyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [4-(tert-butylsulfamoyl)benzoyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [[4-(tert-butylsulfamoyl)phenyl]-oxomethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [4-(tert-butylsulfamoyl)benzoyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [4-(tert-butylsulfamoyl)benzoyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C21H27N2O5S+ MolecularWeight: 419.51448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C)CC2OC(=C1)O

InChI

InChI=1S/C21H26N2O5S/c1-13-11-19(24)28-18-12-15(7-10-17(13)18)22-20(25)14-5-8-16(9-6-14)29(26,27)23-21(2,3)4/h5-6,8-9,11,18,23-24H,7,10,12H2,1-4H3/p+1