4-[(1-azido-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(1-azido-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-(azidomethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-azido-3-(phenylthio)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(1-azido-3-phenylsulfanylpropan-2-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(azidomethyl)-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C15H16N6O4S2 MolecularWeight: 408.45534

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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)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(CN=[N+]=[N-])NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O4S2/c16-20-18-9-11(10-26-12-4-2-1-3-5-12)19-14-7-6-13(27(17,24)25)8-15(14)21(22)23/h1-8,11,19H,9-10H2,(H2,17,24,25)