3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-[3-(1-imidazolyl)propyl]-5-(phenylsulfamoyl)benzamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide Formula: C28H29N5O5S MolecularWeight: 547.62536

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC3=CC(=CC(=C3)C(=O)NCCCN4C=CN=C4)S(=O)(=O)NC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC3=CC(=CC(=C3)C(=O)NCCCN4C=CN=C4)S(=O)(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O5S/c34-28(30-9-4-11-33-12-10-29-20-33)22-16-24(31-19-21-7-8-26-27(15-21)38-14-13-37-26)18-25(17-22)39(35,36)32-23-5-2-1-3-6-23/h1-3,5-8,10,12,15-18,20,31-32H,4,9,11,13-14,19H2,(H,30,34)