N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C23H28N4O6S MolecularWeight: 488.55662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c1-16-7-9-18(13-20(16)27(30)31)23(29)24-15-22(28)25-19-10-8-17(2)21(14-19)34(32,33)26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,24,29)(H,25,28)