6-[(4-cyclohexylazaniumylidene-2-oxidanyl-chromen-3-yl)sulfamoyl]-1,3-benzoxazol-2-olate

Systemtic Name: 6-[(4-cyclohexylazaniumylidene-2-oxidanyl-chromen-3-yl)sulfamoyl]-1,3-benzoxazol-2-olate Openeye Name: 6-[(4-cyclohexyliminio-2-hydroxy-chromen-3-yl)sulfamoyl]-1,3-benzoxazol-2-olate CAS Name: 6-[(4-cyclohexyliminio-2-hydroxy-1-benzopyran-3-yl)sulfamoyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-[(4-cyclohexylazaniumylidene-2-hydroxychromen-3-yl)sulfamoyl]-1,3-benzoxazol-2-olate Traditional Name: 6-[(4-cyclohexyliminio-2-hydroxy-chromen-3-yl)sulfamoyl]-1,3-benzoxazol-2-olate Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]=C2C3=CC=CC=C3OC(=C2NS(=O)(=O)C4=CC5=C(C=C4)N=C(O5)[O-])O

Isomeric SMILES

C1CCC(CC1)[NH+]=C2C3=CC=CC=C3OC(=C2NS(=O)(=O)C4=CC5=C(C=C4)N=C(O5)[O-])O

InChI

InChI=1S/C22H21N3O6S/c26-21-20(25-32(28,29)14-10-11-16-18(12-14)31-22(27)24-16)19(23-13-6-2-1-3-7-13)15-8-4-5-9-17(15)30-21/h4-5,8-13,25-26H,1-3,6-7H2,(H,24,27)