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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,3-dimethylcyclohexyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(2,3-dimethylcyclohexyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,3-dimethylcyclohexyl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(2,3-dimethylcyclohexyl)benzamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-15-6-4-9-20(16(15)2)22-21(26)18-7-5-8-19(14-18)29(27,28)24-12-10-23(11-13-24)17(3)25/h5,7-8,14-16,20H,4,6,9-13H2,1-3H3,(H,22,26)