5-[bis(azanyl)methylideneamino]-4-(methylsulfonylamino)-3-propoxy-cyclohexene-1-carboxylic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-4-(methylsulfonylamino)-3-propoxy-cyclohexene-1-carboxylic acid Openeye Name: 5-guanidino-4-(methanesulfonamido)-3-propoxy-cyclohexene-1-carboxylic acid CAS Name: 5-(diaminomethylideneamino)-4-(methanesulfonamido)-3-propoxy-1-cyclohexenecarboxylic acid IUPAC Name: 5-(diaminomethylideneamino)-4-(methanesulfonamido)-3-propoxycyclohexene-1-carboxylic acid Traditional Name: 5-guanidino-4-(methanesulfonamido)-3-propoxy-cyclohexene-1-carboxylic acid Formula: C12H22N4O5S MolecularWeight: 334.39188

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C=C(CC(C1NS(=O)(=O)C)N=C(N)N)C(=O)O

Isomeric SMILES

CCCOC1C=C(CC(C1NS(=O)(=O)C)N=C(N)N)C(=O)O

InChI

InChI=1S/C12H22N4O5S/c1-3-4-21-9-6-7(11(17)18)5-8(15-12(13)14)10(9)16-22(2,19)20/h6,8-10,16H,3-5H2,1-2H3,(H,17,18)(H4,13,14,15)