5-[(N-azanyl-N'-prop-2-enyl-carbamimidoyl)sulfamoyl]-2-chloranyl-N-(4-fluorophenyl)-4-sulfanyl-benzamide

Systemtic Name: 5-[(N-azanyl-N'-prop-2-enyl-carbamimidoyl)sulfamoyl]-2-chloranyl-N-(4-fluorophenyl)-4-sulfanyl-benzamide Openeye Name: 5-[(N'-allyl-N-amino-carbamimidoyl)sulfamoyl]-2-chloro-N-(4-fluorophenyl)-4-sulfanyl-benzamide CAS Name: 2-chloro-N-(4-fluorophenyl)-5-[[hydrazinyl(prop-2-enylimino)methyl]sulfamoyl]-4-mercaptobenzamide IUPAC Name: 5-[(N-amino-N'-prop-2-enylcarbamimidoyl)sulfamoyl]-2-chloro-N-(4-fluorophenyl)-4-sulfanylbenzamide Traditional Name: 5-[(N'-allyl-N-amino-amidino)sulfamoyl]-2-chloro-N-(4-fluorophenyl)-4-mercapto-benzamide Formula: C17H17ClFN5O3S2 MolecularWeight: 457.929983

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(NN)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)Cl)S

Isomeric SMILES

C=CCN=C(NN)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)Cl)S

InChI

InChI=1S/C17H17ClFN5O3S2/c1-2-7-21-17(23-20)24-29(26,27)15-8-12(13(18)9-14(15)28)16(25)22-11-5-3-10(19)4-6-11/h2-6,8-9,28H,1,7,20H2,(H,22,25)(H2,21,23,24)