cyclohexyl 3-methyl-2-(sulfonylcarbamoylamino)benzenesulfonate

Systemtic Name: cyclohexyl 3-methyl-2-(sulfonylcarbamoylamino)benzenesulfonate Openeye Name: cyclohexyl 3-methyl-2-(sulfonylcarbamoylamino)benzenesulfonate CAS Name: 3-methyl-2-[[oxo-(sulfonylamino)methyl]amino]benzenesulfonic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-methyl-2-(sulfonylcarbamoylamino)benzenesulfonate Traditional Name: 3-methyl-2-(sulfonylcarbamoylamino)benzenesulfonic acid cyclohexyl ester Formula: C14H18N2O6S2 MolecularWeight: 374.43252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)OC2CCCCC2)NC(=O)N=S(=O)=O

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)OC2CCCCC2)NC(=O)N=S(=O)=O

InChI

InChI=1S/C14H18N2O6S2/c1-10-6-5-9-12(13(10)15-14(17)16-23(18)19)24(20,21)22-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,15,17)