2-chloranyl-N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-5-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-5-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-5-methylsulfonylbenzamide Traditional Name: 2-chloro-N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-5-mesyl-benzamide Formula: C22H28ClNO5S MolecularWeight: 453.97942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)OCC

InChI

InChI=1S/C22H28ClNO5S/c1-6-28-19-11-8-15(12-20(19)29-7-2)21(14(3)4)24-22(25)17-13-16(30(5,26)27)9-10-18(17)23/h8-14,21H,6-7H2,1-5H3,(H,24,25)