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

Systemtic Name: [1-[(4-bromophenyl)methyl]-4-(4-oct-2-ynoxyphenyl)sulfonyl-piperidin-4-yl] N-oxidanylcarbamate Openeye Name: [1-[(4-bromophenyl)methyl]-4-(4-oct-2-ynoxyphenyl)sulfonyl-4-piperidyl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [1-[(4-bromophenyl)methyl]-4-(4-oct-2-ynoxyphenyl)sulfonyl-4-piperidinyl] ester IUPAC Name: [1-[(4-bromophenyl)methyl]-4-(4-oct-2-ynoxyphenyl)sulfonylpiperidin-4-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [1-(4-bromobenzyl)-4-(4-oct-2-ynoxyphenyl)sulfonyl-4-piperidyl] ester Formula: C27H33BrN2O6S MolecularWeight: 593.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33BrN2O6S/c1-2-3-4-5-6-7-20-35-24-12-14-25(15-13-24)37(33,34)27(36-26(31)29-32)16-18-30(19-17-27)21-22-8-10-23(28)11-9-22/h8-15,32H,2-5,16-21H2,1H3,(H,29,31)