1-hexyl-3-[4-[4-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]piperidin-1-yl]sulfonylphenyl]urea

Systemtic Name: 1-hexyl-3-[4-[4-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]piperidin-1-yl]sulfonylphenyl]urea Openeye Name: 1-hexyl-3-[4-[[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidyl]sulfonyl]phenyl]urea CAS Name: 1-hexyl-3-[4-[[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidinyl]sulfonyl]phenyl]urea IUPAC Name: 1-hexyl-3-[4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidin-1-yl]sulfonylphenyl]urea Traditional Name: 1-hexyl-3-[4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidino]sulfonylphenyl]urea Formula: C27H40N4O6S MolecularWeight: 548.6947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O

Isomeric SMILES

CCCCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O

InChI

InChI=1S/C27H40N4O6S/c1-2-3-4-5-16-28-27(34)30-22-6-12-26(13-7-22)38(35,36)31-17-14-21(15-18-31)29-19-24(33)20-37-25-10-8-23(32)9-11-25/h6-13,21,24,29,32-33H,2-5,14-20H2,1H3,(H2,28,30,34)