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sodium 3-chloranyl-5-(cyclohexylcarbamoylamino)benzenesulfonic acid

sodium 3-chloranyl-5-(cyclohexylcarbamoylamino)benzenesulfonic acid

Systemtic Name:sodium 3-chloranyl-5-(cyclohexylcarbamoylamino)benzenesulfonic acid
Openeye Name:sodium 3-chloro-5-(cyclohexylcarbamoylamino)benzenesulfonic acid
CAS Name:sodium 3-chloro-5-[[(cyclohexylamino)-oxomethyl]amino]benzenesulfonic acid
IUPAC Name:sodium 3-chloro-5-(cyclohexylcarbamoylamino)benzenesulfonic acid
Traditional Name:sodium 3-chloro-5-(cyclohexylcarbamoylamino)besylic acid
Formula: C13H17ClN2NaO4S+
MolecularWeight: 355.79285
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC(=CC(=C2)Cl)S(=O)(=O)O.[Na+]


Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC(=CC(=C2)Cl)S(=O)(=O)O.[Na+]


InChI

InChI=1S/C13H17ClN2O4S.Na/c14-9-6-11(8-12(7-9)21(18,19)20)16-13(17)15-10-4-2-1-3-5-10;/h6-8,10H,1-5H2,(H2,15,16,17)(H,18,19,20);/q;+1


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