methyl 2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]sulfanylbenzoate

Systemtic Name: methyl 2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]sulfanylbenzoate Openeye Name: methyl 2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]sulfanylbenzoate CAS Name: 2-[[3-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propoxy]phenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]sulfanylbenzoate Traditional Name: 2-[[3-[3-[4-(2-hydroxyethyl)piperazino]propoxy]phenyl]thio]benzoic acid methyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=CC=CC(=C2)OCCCN3CCN(CC3)CCO

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=CC=CC(=C2)OCCCN3CCN(CC3)CCO

InChI

InChI=1S/C23H30N2O4S/c1-28-23(27)21-8-2-3-9-22(21)30-20-7-4-6-19(18-20)29-17-5-10-24-11-13-25(14-12-24)15-16-26/h2-4,6-9,18,26H,5,10-17H2,1H3