N-(2-methyl-6-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-(4-tosylpiperazino)acetamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O5S/c1-15-6-8-17(9-7-15)30(28,29)23-12-10-22(11-13-23)14-19(25)21-20-16(2)4-3-5-18(20)24(26)27/h3-9H,10-14H2,1-2H3,(H,21,25)