N-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-methyl-3-nitro-benzenesulfonamide CAS Name: N-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-(2-diethylaminoethyloxy)benzyl]-2-methyl-3-nitro-benzenesulfonamide Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5S/c1-4-22(5-2)13-14-28-18-11-9-17(10-12-18)15-21-29(26,27)20-8-6-7-19(16(20)3)23(24)25/h6-12,21H,4-5,13-15H2,1-3H3