[4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidin-4-yl] N-oxidanylcarbamate

Systemtic Name: [4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidin-4-yl] N-oxidanylcarbamate Openeye Name: [4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)-4-piperidyl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)-4-piperidinyl] ester IUPAC Name: [4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidin-4-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)-4-piperidyl] ester Formula: C25H34N2O7S MolecularWeight: 506.61166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)OC(=O)NO

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)OC(=O)NO

InChI

InChI=1S/C25H34N2O7S/c1-2-3-19-32-22-10-12-23(13-11-22)35(30,31)25(34-24(28)26-29)14-17-27(18-15-25)16-7-20-33-21-8-5-4-6-9-21/h4-6,8-13,29H,2-3,7,14-20H2,1H3,(H,26,28)