3-nitro-4-[(4-oxidanyl-1-phenylsulfanyl-butan-2-yl)amino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[(4-oxidanyl-1-phenylsulfanyl-butan-2-yl)amino]benzenesulfonamide Openeye Name: 4-[[3-hydroxy-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[4-hydroxy-1-(phenylthio)butan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-hydroxy-1-phenylsulfanylbutan-2-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-hydroxy-1-[(phenylthio)methyl]propyl]amino]-3-nitro-benzenesulfonamide Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S2/c17-26(23,24)14-6-7-15(16(10-14)19(21)22)18-12(8-9-20)11-25-13-4-2-1-3-5-13/h1-7,10,12,18,20H,8-9,11H2,(H2,17,23,24)