N-(5-chloranyl-2-methyl-phenyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-chloro-2-methyl-phenyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(5-chloro-2-methylphenyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-chloro-2-methylphenyl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(5-chloro-2-methyl-phenyl)benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H22ClN3O4S/c1-14-6-7-17(21)13-19(14)22-20(26)16-4-3-5-18(12-16)29(27,28)24-10-8-23(9-11-24)15(2)25/h3-7,12-13H,8-11H2,1-2H3,(H,22,26)