N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-methylsulfonyl-benzamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-methylsulfonyl-benzamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-methylsulfonylbenzamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-methylsulfonylbenzamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-mesyl-4-methyl-benzamide Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)C)OCC

InChI

InChI=1S/C21H27NO5S/c1-5-26-18-10-8-16(13-19(18)27-6-2)11-12-22-21(23)17-9-7-15(3)20(14-17)28(4,24)25/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,23)