[2-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[3-[(4-tert-butylphenyl)sulfonylamino]-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C23H34N3O3S+ MolecularWeight: 432.59936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

InChI=1S/C23H33N3O3S/c1-23(2,3)20-10-12-21(13-11-20)30(28,29)25-15-14-22(27)24-16-18-8-6-7-9-19(18)17-26(4)5/h6-13,25H,14-17H2,1-5H3,(H,24,27)/p+1