[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-phenyl]methyl-(3-ethoxypropyl)azanium

Systemtic Name: [3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylphenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylphenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-benzyl]-(3-ethoxypropyl)ammonium Formula: C21H31N2O3S+ MolecularWeight: 391.54744

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOCCC[NH2+]CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H30N2O3S/c1-5-26-12-6-11-22-15-19-10-9-18(4)21(14-19)27(24,25)23-20-13-16(2)7-8-17(20)3/h7-10,13-14,22-23H,5-6,11-12,15H2,1-4H3/p+1