N,N-diethyl-4-[(4-methylphenyl)methylsulfonyl]-3-nitro-benzamide

Systemtic Name: N,N-diethyl-4-[(4-methylphenyl)methylsulfonyl]-3-nitro-benzamide Openeye Name: N,N-diethyl-3-nitro-4-(p-tolylmethylsulfonyl)benzamide CAS Name: N,N-diethyl-4-[(4-methylphenyl)methylsulfonyl]-3-nitrobenzamide IUPAC Name: N,N-diethyl-4-[(4-methylphenyl)methylsulfonyl]-3-nitrobenzamide Traditional Name: N,N-diethyl-4-(4-methylbenzyl)sulfonyl-3-nitro-benzamide Formula: C19H22N2O5S MolecularWeight: 390.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5S/c1-4-20(5-2)19(22)16-10-11-18(17(12-16)21(23)24)27(25,26)13-15-8-6-14(3)7-9-15/h6-12H,4-5,13H2,1-3H3