N-cyclooctyl-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-cyclooctyl-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclooctyl-benzamide CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-N-cyclooctylbenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclooctylbenzamide Traditional Name: 4-(4-acetylpiperazino)sulfonyl-N-cyclooctyl-benzamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCCCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-17(25)23-13-15-24(16-14-23)29(27,28)20-11-9-18(10-12-20)21(26)22-19-7-5-3-2-4-6-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,22,26)