N-[1-(2,5-dimethylphenyl)ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-nitro-benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-11-7-8-12(2)16(9-11)13(3)17-23(21,22)15-6-4-5-14(10-15)18(19)20/h4-10,13,17H,1-3H3