[1-[(4-bromophenyl)methyl]-4-[4-(4-piperidin-4-ylbut-2-ynoxy)phenyl]sulfonyl-piperidin-4-yl] N-oxidanylcarbamate

Systemtic Name: [1-[(4-bromophenyl)methyl]-4-[4-(4-piperidin-4-ylbut-2-ynoxy)phenyl]sulfonyl-piperidin-4-yl] N-oxidanylcarbamate Openeye Name: [1-[(4-bromophenyl)methyl]-4-[4-[4-(4-piperidyl)but-2-ynoxy]phenyl]sulfonyl-4-piperidyl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [1-[(4-bromophenyl)methyl]-4-[4-[4-(4-piperidinyl)but-2-ynoxy]phenyl]sulfonyl-4-piperidinyl] ester IUPAC Name: [1-[(4-bromophenyl)methyl]-4-[4-(4-piperidin-4-ylbut-2-ynoxy)phenyl]sulfonylpiperidin-4-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [1-(4-bromobenzyl)-4-[4-[4-(4-piperidyl)but-2-ynoxy]phenyl]sulfonyl-4-piperidyl] ester Formula: C28H34BrN3O6S MolecularWeight: 620.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC#CCOC2=CC=C(C=C2)S(=O)(=O)C3(CCN(CC3)CC4=CC=C(C=C4)Br)OC(=O)NO

Isomeric SMILES

C1CNCCC1CC#CCOC2=CC=C(C=C2)S(=O)(=O)C3(CCN(CC3)CC4=CC=C(C=C4)Br)OC(=O)NO

InChI

InChI=1S/C28H34BrN3O6S/c29-24-6-4-23(5-7-24)21-32-18-14-28(15-19-32,38-27(33)31-34)39(35,36)26-10-8-25(9-11-26)37-20-2-1-3-22-12-16-30-17-13-22/h4-11,22,30,34H,3,12-21H2,(H,31,33)