3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-heptan-2-yl-benzamide

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-heptan-2-yl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-methylhexyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-heptan-2-ylbenzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-heptan-2-ylbenzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(1-methylhexyl)benzamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C20H31N3O4S/c1-4-5-6-8-16(2)21-20(25)18-9-7-10-19(15-18)28(26,27)23-13-11-22(12-14-23)17(3)24/h7,9-10,15-16H,4-6,8,11-14H2,1-3H3,(H,21,25)