3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-[(2-methylphenyl)methyl]benzamide

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-[(2-methylphenyl)methyl]benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(o-tolylmethyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[(2-methylphenyl)methyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methylphenyl)methyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(2-methylbenzyl)benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-16-6-3-4-7-19(16)15-22-21(26)18-8-5-9-20(14-18)29(27,28)24-12-10-23(11-13-24)17(2)25/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)