4-[[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C20H23BrN2O5S MolecularWeight: 483.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-23(12-13-4-6-14(7-5-13)20(24)22-15-8-9-15)29(25,26)19-11-18(28-3)17(27-2)10-16(19)21/h4-7,10-11,15H,8-9,12H2,1-3H3,(H,22,24)