[1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-piperidin-4-yl] N-oxidanylcarbamate

Systemtic Name: [1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-piperidin-4-yl] N-oxidanylcarbamate Openeye Name: [1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-4-piperidyl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-4-piperidinyl] ester IUPAC Name: [1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfonylpiperidin-4-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [1-(4-bromobenzyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-4-piperidyl] ester Formula: C23H25BrN2O6S MolecularWeight: 537.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)Br)OC(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)Br)OC(=O)NO

InChI

InChI=1S/C23H25BrN2O6S/c1-2-3-16-31-20-8-10-21(11-9-20)33(29,30)23(32-22(27)25-28)12-14-26(15-13-23)17-18-4-6-19(24)7-5-18/h4-11,28H,12-17H2,1H3,(H,25,27)