N-(3,4-dipropoxyphenyl)-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-(3,4-dipropoxyphenyl)-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-(3,4-dipropoxyphenyl)-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-(3,4-dipropoxyphenyl)-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-(3,4-dipropoxyphenyl)-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-(3,4-dipropoxyphenyl)-5-mesyl-2-methyl-benzamide Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C)OCCC

InChI

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