4-[(2-methyl-2-phenylsulfanyl-propyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2-methyl-2-phenylsulfanyl-propyl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2-methyl-2-phenylsulfanyl-propyl)amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[2-methyl-2-(phenylthio)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2-methyl-2-phenylsulfanylpropyl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-methyl-2-(phenylthio)propyl]amino]-3-nitro-benzenesulfonamide Formula: C16H19N3O4S2 MolecularWeight: 381.46976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O4S2/c1-16(2,24-12-6-4-3-5-7-12)11-18-14-9-8-13(25(17,22)23)10-15(14)19(20)21/h3-10,18H,11H2,1-2H3,(H2,17,22,23)