[1-(3-bromophenyl)-3-oxidanyl-4-[(phenylmethyl)amino]butan-2-yl]-(propanoylsulfamoyl)-dipropyl-azanium

Systemtic Name: [1-(3-bromophenyl)-3-oxidanyl-4-[(phenylmethyl)amino]butan-2-yl]-(propanoylsulfamoyl)-dipropyl-azanium Openeye Name: [3-(benzylamino)-1-[(3-bromophenyl)methyl]-2-hydroxy-propyl]-(propanoylsulfamoyl)-dipropyl-ammonium CAS Name: [1-(3-bromophenyl)-3-hydroxy-4-[(phenylmethyl)amino]butan-2-yl]-(1-oxopropylsulfamoyl)-dipropylammonium IUPAC Name: [4-(benzylamino)-1-(3-bromophenyl)-3-hydroxybutan-2-yl]-(propanoylsulfamoyl)-dipropylazanium Traditional Name: [3-(benzylamino)-1-(3-bromobenzyl)-2-hydroxy-propyl]-(propionylsulfamoyl)-dipropyl-ammonium Formula: C26H39BrN3O4S+ MolecularWeight: 569.57456

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(C(CC1=CC(=CC=C1)Br)C(CNCC2=CC=CC=C2)O)S(=O)(=O)NC(=O)CC

Isomeric SMILES

CCC[N+](CCC)(C(CC1=CC(=CC=C1)Br)C(CNCC2=CC=CC=C2)O)S(=O)(=O)NC(=O)CC

InChI

InChI=1S/C26H38BrN3O4S/c1-4-15-30(16-5-2,35(33,34)29-26(32)6-3)24(18-22-13-10-14-23(27)17-22)25(31)20-28-19-21-11-8-7-9-12-21/h7-14,17,24-25,28,31H,4-6,15-16,18-20H2,1-3H3/p+1