3-nitro-4-(phenylmethylsulfanyl)-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-(phenylmethylsulfanyl)-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-benzylsulfanyl-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 3-nitro-4-(phenylmethylthio)-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-benzylsulfanyl-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-(benzylthio)-N-isopropyl-3-nitro-benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S2/c1-12(2)17-24(21,22)14-8-9-16(15(10-14)18(19)20)23-11-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3