2-[(4-bromanyl-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(3,4-diethoxyphenyl)ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[(4-bromo-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[(4-bromo-3-methylphenyl)sulfonyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[(4-bromo-3-methylphenyl)sulfonyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[(4-bromo-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(3,4-diethoxyphenyl)acetamide Formula: C20H25BrN2O5S MolecularWeight: 485.3919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O5S/c1-5-27-18-10-7-15(12-19(18)28-6-2)22-20(24)13-23(4)29(25,26)16-8-9-17(21)14(3)11-16/h7-12H,5-6,13H2,1-4H3,(H,22,24)