N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C18H21FN4O5S2 MolecularWeight: 456.511543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C18H21FN4O5S2/c19-15-4-2-1-3-13(15)12-29-10-9-22-18(24)7-8-21-16-6-5-14(30(20,27)28)11-17(16)23(25)26/h1-6,11,21H,7-10,12H2,(H,22,24)(H2,20,27,28)