[3-(methylsulfonylamino)-5-(propan-2-ylcarbamoyl)phenyl]methyl-[(4-phenylphenyl)methyl]azanium

Systemtic Name: [3-(methylsulfonylamino)-5-(propan-2-ylcarbamoyl)phenyl]methyl-[(4-phenylphenyl)methyl]azanium Openeye Name: [3-(isopropylcarbamoyl)-5-(methanesulfonamido)phenyl]methyl-[(4-phenylphenyl)methyl]ammonium CAS Name: [3-(methanesulfonamido)-5-[oxo-(propan-2-ylamino)methyl]phenyl]methyl-[(4-phenylphenyl)methyl]ammonium IUPAC Name: [3-(methanesulfonamido)-5-(propan-2-ylcarbamoyl)phenyl]methyl-[(4-phenylphenyl)methyl]azanium Traditional Name: [3-(isopropylcarbamoyl)-5-(methanesulfonamido)benzyl]-(4-phenylbenzyl)ammonium Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C)C[NH2+]CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C)C[NH2+]CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3S/c1-18(2)27-25(29)23-13-20(14-24(15-23)28-32(3,30)31)17-26-16-19-9-11-22(12-10-19)21-7-5-4-6-8-21/h4-15,18,26,28H,16-17H2,1-3H3,(H,27,29)/p+1