(2-methylphenyl)methyl-[[3-(methylsulfonylamino)-5-(phenylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (2-methylphenyl)methyl-[[3-(methylsulfonylamino)-5-(phenylcarbamoyl)phenyl]methyl]azanium Openeye Name: [3-(methanesulfonamido)-5-(phenylcarbamoyl)phenyl]methyl-(o-tolylmethyl)ammonium CAS Name: [3-[anilino(oxo)methyl]-5-(methanesulfonamido)phenyl]methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [3-(methanesulfonamido)-5-(phenylcarbamoyl)phenyl]methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [3-(methanesulfonamido)-5-(phenylcarbamoyl)benzyl]-(2-methylbenzyl)ammonium Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]CC2=CC(=CC(=C2)C(=O)NC3=CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]CC2=CC(=CC(=C2)C(=O)NC3=CC=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C23H25N3O3S/c1-17-8-6-7-9-19(17)16-24-15-18-12-20(14-22(13-18)26-30(2,28)29)23(27)25-21-10-4-3-5-11-21/h3-14,24,26H,15-16H2,1-2H3,(H,25,27)/p+1