methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium

Systemtic Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Openeye Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(3-morpholinosulfonylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[3-(4-morpholinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Traditional Name: methyl-[4-(methylcarbamoyl)benzyl]-(3-morpholinosulfonylbenzyl)ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

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