5-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-2-chloranyl-N-phenyl-benzamide

Systemtic Name: 5-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-2-chloranyl-N-phenyl-benzamide Openeye Name: 5-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-2-chloro-N-phenyl-benzamide CAS Name: 5-[[4-(1-adamantyl)-1-piperazinyl]sulfonyl]-2-chloro-N-phenylbenzamide IUPAC Name: 5-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-2-chloro-N-phenylbenzamide Traditional Name: 5-[4-(1-adamantyl)piperazino]sulfonyl-2-chloro-N-phenyl-benzamide Formula: C27H32ClN3O3S MolecularWeight: 514.07928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C27H32ClN3O3S/c28-25-7-6-23(15-24(25)26(32)29-22-4-2-1-3-5-22)35(33,34)31-10-8-30(9-11-31)27-16-19-12-20(17-27)14-21(13-19)18-27/h1-7,15,19-21H,8-14,16-18H2,(H,29,32)