methyl 4-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[4-(2-naphthylsulfonyl)piperazin-1-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[4-(2-naphthylsulfonyl)piperazino]propoxy]benzoic acid methyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C25H28N2O6S/c1-32-25(29)20-6-9-23(10-7-20)33-18-22(28)17-26-12-14-27(15-13-26)34(30,31)24-11-8-19-4-2-3-5-21(19)16-24/h2-11,16,22,28H,12-15,17-18H2,1H3