N-[2-[4-[(N-cyano-N'-cyclohexyl-carbamimidoyl)sulfamoyl]phenyl]ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[(N-cyano-N'-cyclohexyl-carbamimidoyl)sulfamoyl]phenyl]ethyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[4-[(N-cyano-N'-cyclohexyl-carbamimidoyl)sulfamoyl]phenyl]ethyl]-3-fluoro-benzamide CAS Name: N-[2-[4-[[(cyanoamino)-cyclohexyliminomethyl]sulfamoyl]phenyl]ethyl]-3-fluorobenzamide IUPAC Name: N-[2-[4-[(N-cyano-N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]ethyl]-3-fluorobenzamide Traditional Name: N-[2-[4-[(N-cyano-N'-cyclohexyl-amidino)sulfamoyl]phenyl]ethyl]-3-fluoro-benzamide Formula: C23H26FN5O3S MolecularWeight: 471.547643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C(NC#N)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CCC(CC1)N=C(NC#N)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H26FN5O3S/c24-19-6-4-5-18(15-19)22(30)26-14-13-17-9-11-21(12-10-17)33(31,32)29-23(27-16-25)28-20-7-2-1-3-8-20/h4-6,9-12,15,20H,1-3,7-8,13-14H2,(H,26,30)(H2,27,28,29)