N-(2-chloranyl-5-methyl-phenyl)-2-[4-[3-(2-methylsulfinylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methyl-phenyl)-2-[4-[3-(2-methylsulfinylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methyl-phenyl)-2-[4-[2-hydroxy-3-(2-methylsulfinylphenoxy)propyl]piperazin-1-yl]acetamide CAS Name: N-(2-chloro-5-methylphenyl)-2-[4-[2-hydroxy-3-(2-methylsulfinylphenoxy)propyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-5-methylphenyl)-2-[4-[2-hydroxy-3-(2-methylsulfinylphenoxy)propyl]piperazin-1-yl]acetamide Traditional Name: N-(2-chloro-5-methyl-phenyl)-2-[4-[2-hydroxy-3-(2-methylsulfinylphenoxy)propyl]piperazino]acetamide Formula: C23H30ClN3O4S MolecularWeight: 480.02

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3S(=O)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3S(=O)C)O

InChI

InChI=1S/C23H30ClN3O4S/c1-17-7-8-19(24)20(13-17)25-23(29)15-27-11-9-26(10-12-27)14-18(28)16-31-21-5-3-4-6-22(21)32(2)30/h3-8,13,18,28H,9-12,14-16H2,1-2H3,(H,25,29)