(4-methylsulfanylphenyl) 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-methylsulfanylphenyl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-methylsulfanylphenyl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [4-(methylthio)phenyl] ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21NO4S2/c1-25-17-9-7-16(8-10-17)24-19(21)15-5-11-18(12-6-15)26(22,23)20-13-3-2-4-14-20/h5-12H,2-4,13-14H2,1H3