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

Systemtic Name: [3-oxidanyl-1-(3-phenylmethoxyphenyl)-4-[(phenylmethyl)amino]butan-2-yl]-(propanoylsulfamoyl)-dipropyl-azanium Openeye Name: [3-(benzylamino)-1-[(3-benzyloxyphenyl)methyl]-2-hydroxy-propyl]-(propanoylsulfamoyl)-dipropyl-ammonium CAS Name: [3-hydroxy-1-(3-phenylmethoxyphenyl)-4-[(phenylmethyl)amino]butan-2-yl]-(1-oxopropylsulfamoyl)-dipropylammonium IUPAC Name: [4-(benzylamino)-3-hydroxy-1-(3-phenylmethoxyphenyl)butan-2-yl]-(propanoylsulfamoyl)-dipropylazanium Traditional Name: [1-(3-benzoxybenzyl)-3-(benzylamino)-2-hydroxy-propyl]-(propionylsulfamoyl)-dipropyl-ammonium Formula: C33H46N3O5S+ MolecularWeight: 596.80044

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(C(CC1=CC(=CC=C1)OCC2=CC=CC=C2)C(CNCC3=CC=CC=C3)O)S(=O)(=O)NC(=O)CC

Isomeric SMILES

CCC[N+](CCC)(C(CC1=CC(=CC=C1)OCC2=CC=CC=C2)C(CNCC3=CC=CC=C3)O)S(=O)(=O)NC(=O)CC

InChI

InChI=1S/C33H45N3O5S/c1-4-20-36(21-5-2,42(39,40)35-33(38)6-3)31(32(37)25-34-24-27-14-9-7-10-15-27)23-29-18-13-19-30(22-29)41-26-28-16-11-8-12-17-28/h7-19,22,31-32,34,37H,4-6,20-21,23-26H2,1-3H3/p+1