1-adamantyl-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(3-bromophenyl)sulfonylpiperazino]methanone Formula: C21H27BrN2O3S MolecularWeight: 467.41968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C21H27BrN2O3S/c22-18-2-1-3-19(11-18)28(26,27)24-6-4-23(5-7-24)20(25)21-12-15-8-16(13-21)10-17(9-15)14-21/h1-3,11,15-17H,4-10,12-14H2