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

Systemtic Name: [1-[(4-bromophenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidin-4-yl] N-oxidanylcarbamate Openeye Name: [1-[(4-bromophenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-4-piperidyl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [1-[(4-bromophenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-4-piperidinyl] ester IUPAC Name: [1-[(4-bromophenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonylpiperidin-4-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [1-(4-bromobenzyl)-4-(4-propargyloxyphenyl)sulfonyl-4-piperidyl] ester Formula: C22H23BrN2O6S MolecularWeight: 523.39682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O6S/c1-2-15-30-19-7-9-20(10-8-19)32(28,29)22(31-21(26)24-27)11-13-25(14-12-22)16-17-3-5-18(23)6-4-17/h1,3-10,27H,11-16H2,(H,24,26)