N-[[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]methyl]ethanamide

Systemtic Name: N-[[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]methyl]ethanamide Openeye Name: N-[[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide CAS Name: N-[[4-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide Traditional Name: N-[4-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]benzyl]acetamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-15(26)22-14-16-3-5-17(6-4-16)21(27)24-11-9-23(10-12-24)19-8-7-18(32(2,30)31)13-20(19)25(28)29/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)