2-[4-[3-(4-butylsulfinylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(4-butylsulfinylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[3-(4-butylsulfinylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[3-(4-butylsulfinylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[3-(4-butylsulfinylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[3-(4-butylsulfinylphenoxy)-2-hydroxy-propyl]piperazino]-N-(2,6-dimethylphenyl)acetamide Formula: C27H39N3O4S MolecularWeight: 501.68126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C)O

Isomeric SMILES

CCCCS(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C)O

InChI

InChI=1S/C27H39N3O4S/c1-4-5-17-35(33)25-11-9-24(10-12-25)34-20-23(31)18-29-13-15-30(16-14-29)19-26(32)28-27-21(2)7-6-8-22(27)3/h6-12,23,31H,4-5,13-20H2,1-3H3,(H,28,32)