3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide

Systemtic Name: 3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide Openeye Name: 3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide CAS Name: 3-nitro-4-[2-(phenylthio)ethylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide Traditional Name: 3-nitro-4-[2-(phenylthio)ethylamino]benzenesulfonamide Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4S2/c15-23(20,21)12-6-7-13(14(10-12)17(18)19)16-8-9-22-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H2,15,20,21)