2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(1-phenylpropyl)ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(1-phenylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-(1-phenylpropyl)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(1-phenylpropyl)acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(1-phenylpropyl)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(1-phenylpropyl)acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C18H21N3O5S/c1-3-17(14-8-5-4-6-9-14)19-18(22)13-20(27(2,25)26)15-10-7-11-16(12-15)21(23)24/h4-12,17H,3,13H2,1-2H3,(H,19,22)