methyl 6-[4-[(4-chlorophenyl)methyl-methyl-amino]phenyl]sulfanylhexanoate

Systemtic Name: methyl 6-[4-[(4-chlorophenyl)methyl-methyl-amino]phenyl]sulfanylhexanoate Openeye Name: methyl 6-[4-[(4-chlorophenyl)methyl-methyl-amino]phenyl]sulfanylhexanoate CAS Name: 6-[[4-[(4-chlorophenyl)methyl-methylamino]phenyl]thio]hexanoic acid methyl ester IUPAC Name: methyl 6-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]sulfanylhexanoate Traditional Name: 6-[[4-[(4-chlorobenzyl)-methyl-amino]phenyl]thio]hexanoic acid methyl ester Formula: C21H26ClNO2S MolecularWeight: 391.95464

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)SCCCCCC(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)SCCCCCC(=O)OC

InChI

InChI=1S/C21H26ClNO2S/c1-23(16-17-7-9-18(22)10-8-17)19-11-13-20(14-12-19)26-15-5-3-4-6-21(24)25-2/h7-14H,3-6,15-16H2,1-2H3