3-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide

Systemtic Name: 3-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide Openeye Name: 3-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide CAS Name: 3-[[4-(1-adamantyl)-1-piperazinyl]sulfonyl]-N-(3-nitrophenyl)benzamide IUPAC Name: 3-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide Traditional Name: 3-[4-(1-adamantyl)piperazino]sulfonyl-N-(3-nitrophenyl)benzamide Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)C(=O)NC6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)C(=O)NC6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O5S/c32-26(28-23-4-2-5-24(15-23)31(33)34)22-3-1-6-25(14-22)37(35,36)30-9-7-29(8-10-30)27-16-19-11-20(17-27)13-21(12-19)18-27/h1-6,14-15,19-21H,7-13,16-18H2,(H,28,32)