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

Systemtic Name: 3-nitro-4-[(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)amino]benzenesulfonamide Openeye Name: 4-[[1-(hydroxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-hydroxy-3-(phenylthio)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(1-hydroxy-3-phenylsulfanylpropan-2-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-methylol-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S2/c16-25(22,23)13-6-7-14(15(8-13)18(20)21)17-11(9-19)10-24-12-4-2-1-3-5-12/h1-8,11,17,19H,9-10H2,(H2,16,22,23)