N-[3-[(2-methyl-5-methylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(2-methyl-5-methylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(2-methyl-5-methylsulfonyl-anilino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-(5-mesyl-2-methyl-anilino)propyl]-4-nitro-benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-12-3-8-15(28(2,26)27)11-16(12)20-17(22)9-10-19-18(23)13-4-6-14(7-5-13)21(24)25/h3-8,11H,9-10H2,1-2H3,(H,19,23)(H,20,22)