N-(2-methyl-4-nitro-phenyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O5S/c1-13-11-15(19(21)22)7-8-16(13)18-17(20)9-10-25(23,24)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,20)