3-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-(brosylamino)-N-veratryl-propionamide Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C18H21BrN2O5S/c1-25-16-8-3-13(11-17(16)26-2)12-20-18(22)9-10-21-27(23,24)15-6-4-14(19)5-7-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)