3-(dimethylamino)-1-(4-hexoxy-3-methylsulfonyl-phenyl)propan-1-one

Systemtic Name: 3-(dimethylamino)-1-(4-hexoxy-3-methylsulfonyl-phenyl)propan-1-one Openeye Name: 3-(dimethylamino)-1-(4-hexoxy-3-methylsulfonyl-phenyl)propan-1-one CAS Name: 3-(dimethylamino)-1-(4-hexoxy-3-methylsulfonylphenyl)-1-propanone IUPAC Name: 3-(dimethylamino)-1-(4-hexoxy-3-methylsulfonylphenyl)propan-1-one Traditional Name: 3-(dimethylamino)-1-(4-hexoxy-3-mesyl-phenyl)propan-1-one Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)CCN(C)C)S(=O)(=O)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)CCN(C)C)S(=O)(=O)C

InChI

InChI=1S/C18H29NO4S/c1-5-6-7-8-13-23-17-10-9-15(14-18(17)24(4,21)22)16(20)11-12-19(2)3/h9-10,14H,5-8,11-13H2,1-4H3