N-(1-adamantylmethyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-adamantylmethyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(1-adamantylmethyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-adamantylmethyl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(1-adamantylmethyl)benzamide Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O4S/c1-17(28)26-5-7-27(8-6-26)32(30,31)22-4-2-3-21(12-22)23(29)25-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h2-4,12,18-20H,5-11,13-16H2,1H3,(H,25,29)