N-[4-[(1-azido-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[4-[(1-azido-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-[[1-(azidomethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-[[1-azido-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-[(1-azido-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-[[1-(azidomethyl)-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C28H23FN6O5S2 MolecularWeight: 606.647823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CN=[N+]=[N-])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-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(CN=[N+]=[N-])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-]

InChI

InChI=1S/C28H23FN6O5S2/c29-22-12-10-20(11-13-22)19-6-8-21(9-7-19)28(36)33-42(39,40)25-14-15-26(27(16-25)35(37)38)32-23(17-31-34-30)18-41-24-4-2-1-3-5-24/h1-16,23,32H,17-18H2,(H,33,36)