[3-(dimethylamino)-1-(4-methylsulfonylphenyl)propyl] benzoate chloride

Systemtic Name: [3-(dimethylamino)-1-(4-methylsulfonylphenyl)propyl] benzoate chloride Openeye Name: [3-(dimethylamino)-1-(4-methylsulfonylphenyl)propyl] benzoate chloride CAS Name: benzoic acid [3-(dimethylamino)-1-(4-methylsulfonylphenyl)propyl] ester chloride IUPAC Name: [3-(dimethylamino)-1-(4-methylsulfonylphenyl)propyl] benzoate chloride Traditional Name: benzoic acid [3-(dimethylamino)-1-(4-mesylphenyl)propyl] ester chloride Formula: C19H23ClNO4S- MolecularWeight: 396.90822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=C(C=C1)S(=O)(=O)C)OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CN(C)CCC(C1=CC=C(C=C1)S(=O)(=O)C)OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C19H23NO4S.ClH/c1-20(2)14-13-18(24-19(21)16-7-5-4-6-8-16)15-9-11-17(12-10-15)25(3,22)23;/h4-12,18H,13-14H2,1-3H3;1H/p-1