N-[4-[(2-azanyl-3-phenylsulfanyl-propanoyl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[4-[(2-azanyl-3-phenylsulfanyl-propanoyl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-[(2-amino-3-phenylsulfanyl-propanoyl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-[[2-amino-1-oxo-3-(phenylthio)propyl]amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-[(2-amino-3-phenylsulfanylpropanoyl)amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-[[2-amino-3-(phenylthio)propanoyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C28H23FN4O6S2 MolecularWeight: 594.633823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)SCC(C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-])N

InChI

InChI=1S/C28H23FN4O6S2/c29-21-12-10-19(11-13-21)18-6-8-20(9-7-18)27(34)32-41(38,39)23-14-15-25(26(16-23)33(36)37)31-28(35)24(30)17-40-22-4-2-1-3-5-22/h1-16,24H,17,30H2,(H,31,35)(H,32,34)