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

Systemtic Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-1-(phenylmethyl)piperidin-4-yl] N-oxidanylcarbamate Openeye Name: [1-benzyl-4-(4-but-2-ynoxyphenyl)sulfonyl-4-piperidyl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [4-(4-but-2-ynoxyphenyl)sulfonyl-1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: [1-benzyl-4-(4-but-2-ynoxyphenyl)sulfonylpiperidin-4-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [1-benzyl-4-(4-but-2-ynoxyphenyl)sulfonyl-4-piperidyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-2-3-17-30-20-9-11-21(12-10-20)32(28,29)23(31-22(26)24-27)13-15-25(16-14-23)18-19-7-5-4-6-8-19/h4-12,27H,13-18H2,1H3,(H,24,26)