N-[(2-methylphenyl)methyl]-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[(2-methylphenyl)methyl]-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-(o-tolylmethyl)acetamide CAS Name: N-[(2-methylphenyl)methyl]-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[(2-methylphenyl)methyl]-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-methylbenzyl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]acetamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-16-5-2-3-6-17(16)14-21-20(25)15-22-9-11-23(12-10-22)30(28,29)19-8-4-7-18(13-19)24(26)27/h2-8,13H,9-12,14-15H2,1H3,(H,21,25)