1-(2-aminophenyl)-3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propan-1-one

Systemtic Name: 1-(2-aminophenyl)-3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propan-1-one Openeye Name: 1-(2-aminophenyl)-3-(4-methylsulfonyl-2-nitro-anilino)propan-1-one CAS Name: 1-(2-aminophenyl)-3-(4-methylsulfonyl-2-nitroanilino)-1-propanone IUPAC Name: 1-(2-aminophenyl)-3-(4-methylsulfonyl-2-nitroanilino)propan-1-one Traditional Name: 1-(2-aminophenyl)-3-(4-mesyl-2-nitro-anilino)propan-1-one Formula: C16H17N3O5S MolecularWeight: 363.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCC(=O)C2=CC=CC=C2N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCC(=O)C2=CC=CC=C2N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c1-25(23,24)11-6-7-14(15(10-11)19(21)22)18-9-8-16(20)12-4-2-3-5-13(12)17/h2-7,10,18H,8-9,17H2,1H3