dimethyl-[[2-[[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[(3-morpholinosulfonylbenzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[(3-morpholinosulfonylbenzoyl)amino]methyl]benzyl]ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O4S/c1-23(2)16-19-7-4-3-6-18(19)15-22-21(25)17-8-5-9-20(14-17)29(26,27)24-10-12-28-13-11-24/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1