4-[2-(4-methylphenyl)sulfanylethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(4-methylphenyl)sulfanylethylamino]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-4-[2-(p-tolylsulfanyl)ethylamino]benzenesulfonamide CAS Name: 4-[2-[(4-methylphenyl)thio]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(4-methylphenyl)sulfanylethylamino]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-4-[2-(p-tolylthio)ethylamino]benzenesulfonamide Formula: C15H17N3O4S2 MolecularWeight: 367.44318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S2/c1-11-2-4-12(5-3-11)23-9-8-17-14-7-6-13(24(16,21)22)10-15(14)18(19)20/h2-7,10,17H,8-9H2,1H3,(H2,16,21,22)