[3-[(4-bromanyl-2-methyl-phenyl)sulfonylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium

Systemtic Name: [3-[(4-bromanyl-2-methyl-phenyl)sulfonylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium Openeye Name: [3-[(4-bromo-2-methyl-phenyl)sulfonylamino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium CAS Name: [3-[(4-bromo-2-methylphenyl)sulfonylamino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclopentylammonium IUPAC Name: [3-[(4-bromo-2-methylphenyl)sulfonylamino]-2-hydroxychromen-4-ylidene]-cyclopentylazanium Traditional Name: [3-[(4-bromo-2-methyl-phenyl)sulfonylamino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium Formula: C21H22BrN2O4S+ MolecularWeight: 478.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O

InChI

InChI=1S/C21H21BrN2O4S/c1-13-12-14(22)10-11-18(13)29(26,27)24-20-19(23-15-6-2-3-7-15)16-8-4-5-9-17(16)28-21(20)25/h4-5,8-12,15,24-25H,2-3,6-7H2,1H3/p+1