3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propyl]-methyl-ammonium CAS Name: 3-[[3-[(4-ethoxyphenyl)sulfonylamino]-1-oxopropyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propyl]-methylazanium Traditional Name: benzyl-methyl-[3-[3-(p-phenetylsulfonylamino)propanoylamino]propyl]ammonium Formula: C22H32N3O4S+ MolecularWeight: 434.57218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCC[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O4S/c1-3-29-20-10-12-21(13-11-20)30(27,28)24-16-14-22(26)23-15-7-17-25(2)18-19-8-5-4-6-9-19/h4-6,8-13,24H,3,7,14-18H2,1-2H3,(H,23,26)/p+1