diethyl-[[4-[[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[3-(4-piperidinosulfonylphenyl)propanoylamino]methyl]benzyl]ammonium Formula: C26H38N3O3S+ MolecularWeight: 472.66322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C26H37N3O3S/c1-3-28(4-2)21-24-10-8-23(9-11-24)20-27-26(30)17-14-22-12-15-25(16-13-22)33(31,32)29-18-6-5-7-19-29/h8-13,15-16H,3-7,14,17-21H2,1-2H3,(H,27,30)/p+1