N-[2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-(4-methoxyphenyl)-2-morpholino-ethyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)C)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)C)N3CCOCC3

InChI

InChI=1S/C21H26N2O5S/c1-27-18-8-6-16(7-9-18)20(23-10-12-28-13-11-23)15-22-21(24)17-4-3-5-19(14-17)29(2,25)26/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,24)