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

Systemtic Name: [1-[(4-bromophenyl)methyl]-4-(4-pent-2-ynoxyphenyl)sulfonyl-piperidin-4-yl] N-oxidanylcarbamate Openeye Name: [1-[(4-bromophenyl)methyl]-4-(4-pent-2-ynoxyphenyl)sulfonyl-4-piperidyl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [1-[(4-bromophenyl)methyl]-4-(4-pent-2-ynoxyphenyl)sulfonyl-4-piperidinyl] ester IUPAC Name: [1-[(4-bromophenyl)methyl]-4-(4-pent-2-ynoxyphenyl)sulfonylpiperidin-4-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [1-(4-bromobenzyl)-4-(4-pent-2-ynoxyphenyl)sulfonyl-4-piperidyl] ester Formula: C24H27BrN2O6S MolecularWeight: 551.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN2O6S/c1-2-3-4-17-32-21-9-11-22(12-10-21)34(30,31)24(33-23(28)26-29)13-15-27(16-14-24)18-19-5-7-20(25)8-6-19/h5-12,29H,2,13-18H2,1H3,(H,26,28)